N-ethyl-N-methyl-2-(3-methyl-1-phenylcyclobutyl)-4-(quinolin-2-ylmethoxy)benzamide;methyl 2-(3-methyl-1-phenylcyclobutyl)-4-(quinolin-2-ylmethoxy)benzoate;2-(3-methyl-1-phenylcyclobutyl)-4-(quinolin-2-ylmethoxy)benzoic acid

C88H84N4O8 — CID 162023813

IUPACN-ethyl-N-methyl-2-(3-methyl-1-phenylcyclobutyl)-4-(quinolin-2-ylmethoxy)benzamide;methyl 2-(3-methyl-1-phenylcyclobutyl)-4-(quinolin-2-ylmethoxy)benzoate;2-(3-methyl-1-phenylcyclobutyl)-4-(quinolin-2-ylmethoxy)benzoic acid
SMILESCC1CC(c2ccccc2)(c2cc(OCc3ccc4ccccc4n3)ccc2C(=O)O)C1.CCN(C)C(=O)c1ccc(OCc2ccc3ccccc3n2)cc1C1(c2ccccc2)CC(C)C1.COC(=O)c1ccc(OCc2ccc3ccccc3n2)cc1C1(c2ccccc2)CC(C)C1
InChIInChI=1S/C31H32N2O2.C29H27NO3.C28H25NO3/c1-4-33(3)30(34)27-17-16-26(35-21-25-15-14-23-10-8-9-13-29(23)32-25)18-28(27)31(19-22(2)20-31)24-11-6-5-7-12-24;1-20-17-29(18-20,22-9-4-3-5-10-22)26-16-24(14-15-25(26)28(31)32-2)33-19-23-13-12-21-8-6-7-11-27(21)30-23;1-19-16-28(17-19,21-8-3-2-4-9-21)25-15-23(13-14-24(25)27(30)31)32-18-22-12-11-20-7-5-6-10-26(20)29-22/h5-18,22H,4,19-21H2,1-3H3;3-16,20H,17-19H2,1-2H3;2-15,19H,16-18H2,1H3,(H,30,31)
InChIKeyYVCGPAUWGWVPRU-UHFFFAOYSA-N
MW1325.66 g/mol
LogP19.17
Rot. Bonds19

About N-ethyl-N-methyl-2-(3-methyl-1-phenylcyclobutyl)-4-(quinolin-2-ylmethoxy)benzamide;methyl 2-(3-methyl-1-phenylcyclobutyl)-4-(quinolin-2-ylmethoxy)benzoate;2-(3-methyl-1-phenylcyclobutyl)-4-(quinolin-2-ylmethoxy)benzoic acid

N-ethyl-N-methyl-2-(3-methyl-1-phenylcyclobutyl)-4-(quinolin-2-ylmethoxy)benzamide;methyl 2-(3-methyl-1-phenylcyclobutyl)-4-(quinolin-2-ylmethoxy)benzoate;2-(3-methyl-1-phenylcyclobutyl)-4-(quinolin-2-ylmethoxy)benzoic acid (PubChem CID 162023813) has the molecular formula C88H84N4O8 and a molecular weight of 1325.66 g/mol. Its IUPAC name is N-ethyl-N-methyl-2-(3-methyl-1-phenylcyclobutyl)-4-(quinolin-2-ylmethoxy)benzamide;methyl 2-(3-methyl-1-phenylcyclobutyl)-4-(quinolin-2-ylmethoxy)benzoate;2-(3-methyl-1-phenylcyclobutyl)-4-(quinolin-2-ylmethoxy)benzoic acid.

Molecular Properties

Compound NameN-ethyl-N-methyl-2-(3-methyl-1-phenylcyclobutyl)-4-(quinolin-2-ylmethoxy)benzamide;methyl 2-(3-methyl-1-phenylcyclobutyl)-4-(quinolin-2-ylmethoxy)benzoate;2-(3-methyl-1-phenylcyclobutyl)-4-(quinolin-2-ylmethoxy)benzoic acid
PubChem CID162023813
Molecular FormulaC88H84N4O8
Molecular Weight1325.66 g/mol
Exact Mass1324.63
IUPAC NameN-ethyl-N-methyl-2-(3-methyl-1-phenylcyclobutyl)-4-(quinolin-2-ylmethoxy)benzamide;methyl 2-(3-methyl-1-phenylcyclobutyl)-4-(quinolin-2-ylmethoxy)benzoate;2-(3-methyl-1-phenylcyclobutyl)-4-(quinolin-2-ylmethoxy)benzoic acid
SMILESCC1CC(c2ccccc2)(c2cc(OCc3ccc4ccccc4n3)ccc2C(=O)O)C1.CCN(C)C(=O)c1ccc(OCc2ccc3ccccc3n2)cc1C1(c2ccccc2)CC(C)C1.COC(=O)c1ccc(OCc2ccc3ccccc3n2)cc1C1(c2ccccc2)CC(C)C1
InChIInChI=1S/C31H32N2O2.C29H27NO3.C28H25NO3/c1-4-33(3)30(34)27-17-16-26(35-21-25-15-14-23-10-8-9-13-29(23)32-25)18-28(27)31(19-22(2)20-31)24-11-6-5-7-12-24;1-20-17-29(18-20,22-9-4-3-5-10-22)26-16-24(14-15-25(26)28(31)32-2)33-19-23-13-12-21-8-6-7-11-27(21)30-23;1-19-16-28(17-19,21-8-3-2-4-9-21)25-15-23(13-14-24(25)27(30)31)32-18-22-12-11-20-7-5-6-10-26(20)29-22/h5-18,22H,4,19-21H2,1-3H3;3-16,20H,17-19H2,1-2H3;2-15,19H,16-18H2,1H3,(H,30,31)
InChIKeyYVCGPAUWGWVPRU-UHFFFAOYSA-N
XLogP19.17
TPSA150.27 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds19
Heavy Atoms100
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001325.66
LogP ≤ 519.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N-ethyl-N-methyl-2-(3-methyl-1-phenylcyclobutyl)-4-(quinolin-2-ylmethoxy)benzamide;methyl 2-(3-methyl-1-phenylcyclobutyl)-4-(quinolin-2-ylmethoxy)benzoate;2-(3-methyl-1-phenylcyclobutyl)-4-(quinolin-2-ylmethoxy)benzoic acid with MolForge

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Related Compounds

Methyl 2-(3,3-dimethyl-1-phenylbutyl)-4-(quinolin-2-ylmethoxy)benzoate
CID 70696345
3-({2-[6-(Quinolin-2-ylmethoxy)-naphthalen-2-yl]-propionylamino}-methyl)-benzoic acid
CID 44352422
4-({2-[6-(Quinolin-2-ylmethoxy)-naphthalen-2-yl]-propionylamino}-methyl)-benzoic acid
CID 44352424
Methyl 2-(3-methyl-1-phenylcyclobutyl)-4-(quinolin-2-ylmethoxy)benzoate
CID 57813859
Methyl 2-(3,3-dimethyl-1-phenylcyclobutyl)-4-(quinolin-2-ylmethoxy)benzoate
CID 68893091
Methyl 2-(1-phenylcyclobutyl)-4-(quinolin-2-ylmethoxy)benzoate
CID 70681616
Methyl 2-(2,2-dimethyl-1-phenylpropyl)-4-(quinolin-2-ylmethoxy)benzoate
CID 70683736
Methyl 2-(1-phenylcyclohexyl)-4-(quinolin-2-ylmethoxy)benzoate
CID 70683737
Methyl 2-[cyclohexyl(phenyl)methyl]-4-(quinolin-2-ylmethoxy)benzoate
CID 70690036
[2-[(1S,2R,4S)-2-phenyl-2-bicyclo[2.2.1]heptanyl]-4-(quinolin-2-ylmethoxy)phenyl]-pyrrolidin-1-ylmethanone
CID 70696347
4-[(6-Fluoroquinolin-2-yl)methoxy]-2-(1-phenylcyclobutyl)benzoic acid
CID 57813879
2-(2,2-Dimethyl-1-phenylpropyl)-4-[(6-fluoroquinolin-2-yl)methoxy]benzoic acid
CID 69000886

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-2-(3-methyl-1-phenylcyclobutyl)-4-(quinolin-2-ylmethoxy)benzamide;methyl 2-(3-methyl-1-phenylcyclobutyl)-4-(quinolin-2-ylmethoxy)benzoate;2-(3-methyl-1-phenylcyclobutyl)-4-(quinolin-2-ylmethoxy)benzoic acid?
The IUPAC name of N-ethyl-N-methyl-2-(3-methyl-1-phenylcyclobutyl)-4-(quinolin-2-ylmethoxy)benzamide;methyl 2-(3-methyl-1-phenylcyclobutyl)-4-(quinolin-2-ylmethoxy)benzoate;2-(3-methyl-1-phenylcyclobutyl)-4-(quinolin-2-ylmethoxy)benzoic acid (CID 162023813) is N-ethyl-N-methyl-2-(3-methyl-1-phenylcyclobutyl)-4-(quinolin-2-ylmethoxy)benzamide;methyl 2-(3-methyl-1-phenylcyclobutyl)-4-(quinolin-2-ylmethoxy)benzoate;2-(3-methyl-1-phenylcyclobutyl)-4-(quinolin-2-ylmethoxy)benzoic acid.
What is the SMILES notation for N-ethyl-N-methyl-2-(3-methyl-1-phenylcyclobutyl)-4-(quinolin-2-ylmethoxy)benzamide;methyl 2-(3-methyl-1-phenylcyclobutyl)-4-(quinolin-2-ylmethoxy)benzoate;2-(3-methyl-1-phenylcyclobutyl)-4-(quinolin-2-ylmethoxy)benzoic acid?
The canonical SMILES for N-ethyl-N-methyl-2-(3-methyl-1-phenylcyclobutyl)-4-(quinolin-2-ylmethoxy)benzamide;methyl 2-(3-methyl-1-phenylcyclobutyl)-4-(quinolin-2-ylmethoxy)benzoate;2-(3-methyl-1-phenylcyclobutyl)-4-(quinolin-2-ylmethoxy)benzoic acid is CC1CC(c2ccccc2)(c2cc(OCc3ccc4ccccc4n3)ccc2C(=O)O)C1.CCN(C)C(=O)c1ccc(OCc2ccc3ccccc3n2)cc1C1(c2ccccc2)CC(C)C1.COC(=O)c1ccc(OCc2ccc3ccccc3n2)cc1C1(c2ccccc2)CC(C)C1.
What is the InChIKey of N-ethyl-N-methyl-2-(3-methyl-1-phenylcyclobutyl)-4-(quinolin-2-ylmethoxy)benzamide;methyl 2-(3-methyl-1-phenylcyclobutyl)-4-(quinolin-2-ylmethoxy)benzoate;2-(3-methyl-1-phenylcyclobutyl)-4-(quinolin-2-ylmethoxy)benzoic acid?
The InChIKey is YVCGPAUWGWVPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N2O2.C29H27NO3.C28H25NO3/c1-4-33(3)30(34)27-17-16-26(35-21-25-15-14-23-10-8-9-13-29(23)32-25)18-28(27)31(19-22(2)20-31)24-11-6-5-7-12-24;1-20-17-29(18-20,22-9-4-3-5-10-22)26-16-24(14-15-25(26)28(31)32-2)33-19-23-13-12-21-8-6-7-11-27(21)30-23;1-19-16-28(17-19,21-8-3-2-4-9-21)25-15-23(13-14-24(25)27(30)31)32-18-22-12-11-20-7-5-6-10-26(20)29-22/h5-18,22H,4,19-21H2,1-3H3;3-16,20H,17-19H2,1-2H3;2-15,19H,16-18H2,1H3,(H,30,31).
What are the key properties of N-ethyl-N-methyl-2-(3-methyl-1-phenylcyclobutyl)-4-(quinolin-2-ylmethoxy)benzamide;methyl 2-(3-methyl-1-phenylcyclobutyl)-4-(quinolin-2-ylmethoxy)benzoate;2-(3-methyl-1-phenylcyclobutyl)-4-(quinolin-2-ylmethoxy)benzoic acid?
N-ethyl-N-methyl-2-(3-methyl-1-phenylcyclobutyl)-4-(quinolin-2-ylmethoxy)benzamide;methyl 2-(3-methyl-1-phenylcyclobutyl)-4-(quinolin-2-ylmethoxy)benzoate;2-(3-methyl-1-phenylcyclobutyl)-4-(quinolin-2-ylmethoxy)benzoic acid has a molecular weight of 1325.66 g/mol, XLogP of 19.17, 19 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-2-(3-methyl-1-phenylcyclobutyl)-4-(quinolin-2-ylmethoxy)benzamide;methyl 2-(3-methyl-1-phenylcyclobutyl)-4-(quinolin-2-ylmethoxy)benzoate;2-(3-methyl-1-phenylcyclobutyl)-4-(quinolin-2-ylmethoxy)benzoic acid is sourced from PubChem (CID 162023813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).