N-[4-[4-[3-(dimethylamino)propoxy]phenyl]cyclohexyl]-4-methoxy-3-(3-methoxyphenyl)benzamide

C32H40N2O4 — CID 155542462

IUPACN-[4-[4-[3-(dimethylamino)propoxy]phenyl]cyclohexyl]-4-methoxy-3-(3-methoxyphenyl)benzamide
SMILESCOc1cccc(-c2cc(C(=O)NC3CCC(c4ccc(OCCCN(C)C)cc4)CC3)ccc2OC)c1
InChIInChI=1S/C32H40N2O4/c1-34(2)19-6-20-38-28-16-11-24(12-17-28)23-9-14-27(15-10-23)33-32(35)26-13-18-31(37-4)30(22-26)25-7-5-8-29(21-25)36-3/h5,7-8,11-13,16-18,21-23,27H,6,9-10,14-15,19-20H2,1-4H3,(H,33,35)
InChIKeyXFFJMLBGIRMJGD-UHFFFAOYSA-N
MW516.68 g/mol
LogP6.16
Rot. Bonds11

About N-[4-[4-[3-(dimethylamino)propoxy]phenyl]cyclohexyl]-4-methoxy-3-(3-methoxyphenyl)benzamide

N-[4-[4-[3-(dimethylamino)propoxy]phenyl]cyclohexyl]-4-methoxy-3-(3-methoxyphenyl)benzamide (PubChem CID 155542462) has the molecular formula C32H40N2O4 and a molecular weight of 516.68 g/mol. Its IUPAC name is N-[4-[4-[3-(dimethylamino)propoxy]phenyl]cyclohexyl]-4-methoxy-3-(3-methoxyphenyl)benzamide.

Molecular Properties

Compound NameN-[4-[4-[3-(dimethylamino)propoxy]phenyl]cyclohexyl]-4-methoxy-3-(3-methoxyphenyl)benzamide
PubChem CID155542462
Molecular FormulaC32H40N2O4
Molecular Weight516.68 g/mol
Exact Mass516.30
IUPAC NameN-[4-[4-[3-(dimethylamino)propoxy]phenyl]cyclohexyl]-4-methoxy-3-(3-methoxyphenyl)benzamide
SMILESCOc1cccc(-c2cc(C(=O)NC3CCC(c4ccc(OCCCN(C)C)cc4)CC3)ccc2OC)c1
InChIInChI=1S/C32H40N2O4/c1-34(2)19-6-20-38-28-16-11-24(12-17-28)23-9-14-27(15-10-23)33-32(35)26-13-18-31(37-4)30(22-26)25-7-5-8-29(21-25)36-3/h5,7-8,11-13,16-18,21-23,27H,6,9-10,14-15,19-20H2,1-4H3,(H,33,35)
InChIKeyXFFJMLBGIRMJGD-UHFFFAOYSA-N
XLogP6.16
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.68
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-3-methoxybenzamide
CID 900156
N-[4-[4-[1-(2-acetamidoacetyl)piperidin-4-yl]oxy-2-[2-(dimethylamino)ethoxy]phenyl]phenyl]-4-methoxy-3-(3-methoxyphenyl)benzamide
CID 155206061
4-amino-N-cyclopentyl-3-[3-(dimethylamino)propoxy]benzamide
CID 82070130
3-(2-aminoquinazolin-6-yl)-N-cyclopropyl-4-methoxybenzamide
CID 58829959
3,4-dichloro-N-[1-[4-[3-(dimethylamino)propoxy]phenyl]piperidin-4-yl]benzamide
CID 10225840
4-methoxy-3-(3-methoxyphenyl)benzamide
CID 123866555
N-cyclopropyl-3-[4-(3-methoxybenzoyl)phenyl]-4-methylbenzamide
CID 142750926
3-N-cyclopentyl-1-N-[2-(4-methoxyphenoxy)ethyl]benzene-1,3-dicarboxamide
CID 109051864
3-N-cyclopropyl-1-N-[3-(dimethylamino)propyl]benzene-1,3-dicarboxamide
CID 109050681
butyl 4-[(3-methoxybenzoyl)amino]piperidine-1-carboxylate
CID 108559738
3-(3-methoxyphenoxy)-N,N-dimethylpropan-1-amine;oxalic acid
CID 2935713
N-[3-(dimethylamino)propyl]-3-methoxybenzamide
CID 3117661

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[3-(dimethylamino)propoxy]phenyl]cyclohexyl]-4-methoxy-3-(3-methoxyphenyl)benzamide?
The IUPAC name of N-[4-[4-[3-(dimethylamino)propoxy]phenyl]cyclohexyl]-4-methoxy-3-(3-methoxyphenyl)benzamide (CID 155542462) is N-[4-[4-[3-(dimethylamino)propoxy]phenyl]cyclohexyl]-4-methoxy-3-(3-methoxyphenyl)benzamide.
What is the SMILES notation for N-[4-[4-[3-(dimethylamino)propoxy]phenyl]cyclohexyl]-4-methoxy-3-(3-methoxyphenyl)benzamide?
The canonical SMILES for N-[4-[4-[3-(dimethylamino)propoxy]phenyl]cyclohexyl]-4-methoxy-3-(3-methoxyphenyl)benzamide is COc1cccc(-c2cc(C(=O)NC3CCC(c4ccc(OCCCN(C)C)cc4)CC3)ccc2OC)c1.
What is the InChIKey of N-[4-[4-[3-(dimethylamino)propoxy]phenyl]cyclohexyl]-4-methoxy-3-(3-methoxyphenyl)benzamide?
The InChIKey is XFFJMLBGIRMJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40N2O4/c1-34(2)19-6-20-38-28-16-11-24(12-17-28)23-9-14-27(15-10-23)33-32(35)26-13-18-31(37-4)30(22-26)25-7-5-8-29(21-25)36-3/h5,7-8,11-13,16-18,21-23,27H,6,9-10,14-15,19-20H2,1-4H3,(H,33,35).
What are the key properties of N-[4-[4-[3-(dimethylamino)propoxy]phenyl]cyclohexyl]-4-methoxy-3-(3-methoxyphenyl)benzamide?
N-[4-[4-[3-(dimethylamino)propoxy]phenyl]cyclohexyl]-4-methoxy-3-(3-methoxyphenyl)benzamide has a molecular weight of 516.68 g/mol, XLogP of 6.16, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[3-(dimethylamino)propoxy]phenyl]cyclohexyl]-4-methoxy-3-(3-methoxyphenyl)benzamide is sourced from PubChem (CID 155542462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).