methyl 2-[4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbamoyl]phenyl]acetate

C24H29NO3 — CID 155439708

IUPACmethyl 2-[4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbamoyl]phenyl]acetate
SMILESCOC(=O)Cc1ccc(C(=O)Nc2ccc3c(c2)C(C)(C)CCC3(C)C)cc1
InChIInChI=1S/C24H29NO3/c1-23(2)12-13-24(3,4)20-15-18(10-11-19(20)23)25-22(27)17-8-6-16(7-9-17)14-21(26)28-5/h6-11,15H,12-14H2,1-5H3,(H,25,27)
InChIKeyYMVYIKDCNNUKTB-UHFFFAOYSA-N
MW379.50 g/mol
LogP5.00
Rot. Bonds4

About methyl 2-[4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbamoyl]phenyl]acetate

methyl 2-[4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbamoyl]phenyl]acetate (PubChem CID 155439708) has the molecular formula C24H29NO3 and a molecular weight of 379.50 g/mol. Its IUPAC name is methyl 2-[4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbamoyl]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbamoyl]phenyl]acetate
PubChem CID155439708
Molecular FormulaC24H29NO3
Molecular Weight379.50 g/mol
Exact Mass379.21
IUPAC Namemethyl 2-[4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbamoyl]phenyl]acetate
SMILESCOC(=O)Cc1ccc(C(=O)Nc2ccc3c(c2)C(C)(C)CCC3(C)C)cc1
InChIInChI=1S/C24H29NO3/c1-23(2)12-13-24(3,4)20-15-18(10-11-19(20)23)25-22(27)17-8-6-16(7-9-17)14-21(26)28-5/h6-11,15H,12-14H2,1-5H3,(H,25,27)
InChIKeyYMVYIKDCNNUKTB-UHFFFAOYSA-N
XLogP5.00
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.50
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 2-[4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbamoyl]phenyl]acetate with MolForge

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Related Compounds

[4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbamoyl]phenyl] acetate
CID 19760315
ethane;methyl 2-[[2-[[4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbamoyl]benzoyl]amino]acetyl]amino]acetate
CID 143799383
3-oxo-3-[4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbamoyl]phenyl]propanoic acid
CID 24946634
azidomethyl 4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbamoyl]benzoate
CID 90432441
ethyl 4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]benzoate
CID 3086620
methyl 2-[4-[(4-cyanobenzoyl)amino]phenyl]acetate
CID 36829844
N-(4-hydroxyphenyl)-4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzamide
CID 18989925
methyl 2-[4-[[4-(2,3-dihydrofuran-5-carbonylamino)benzoyl]amino]phenyl]acetate
CID 157041387
methyl 2-[3-(naphthalene-2-carbonylamino)phenyl]acetate
CID 70091613
N-(1H-indol-5-yl)-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carboxamide
CID 11559292
4-[(1,8-dimethyl-4-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl)carbamoyl]benzoic acid
CID 14186455
[4-(4-hydroxyphenyl)phenyl] 4-[[4-(2-methoxy-2-oxoethyl)benzoyl]amino]benzoate
CID 89329547

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbamoyl]phenyl]acetate?
The IUPAC name of methyl 2-[4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbamoyl]phenyl]acetate (CID 155439708) is methyl 2-[4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbamoyl]phenyl]acetate.
What is the SMILES notation for methyl 2-[4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbamoyl]phenyl]acetate?
The canonical SMILES for methyl 2-[4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbamoyl]phenyl]acetate is COC(=O)Cc1ccc(C(=O)Nc2ccc3c(c2)C(C)(C)CCC3(C)C)cc1.
What is the InChIKey of methyl 2-[4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbamoyl]phenyl]acetate?
The InChIKey is YMVYIKDCNNUKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO3/c1-23(2)12-13-24(3,4)20-15-18(10-11-19(20)23)25-22(27)17-8-6-16(7-9-17)14-21(26)28-5/h6-11,15H,12-14H2,1-5H3,(H,25,27).
What are the key properties of methyl 2-[4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbamoyl]phenyl]acetate?
methyl 2-[4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbamoyl]phenyl]acetate has a molecular weight of 379.50 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbamoyl]phenyl]acetate is sourced from PubChem (CID 155439708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).