ethyl 2-[(4-methylbenzoyl)amino]-4,4-diphenylbutanoate

C26H27NO3 — CID 175573876

IUPACethyl 2-[(4-methylbenzoyl)amino]-4,4-diphenylbutanoate
SMILESCCOC(=O)C(CC(c1ccccc1)c1ccccc1)NC(=O)c1ccc(C)cc1
InChIInChI=1S/C26H27NO3/c1-3-30-26(29)24(27-25(28)22-16-14-19(2)15-17-22)18-23(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-17,23-24H,3,18H2,1-2H3,(H,27,28)
InChIKeyBYHCBWRWMUPESV-UHFFFAOYSA-N
MW401.51 g/mol
LogP4.88
Rot. Bonds8

About ethyl 2-[(4-methylbenzoyl)amino]-4,4-diphenylbutanoate

ethyl 2-[(4-methylbenzoyl)amino]-4,4-diphenylbutanoate (PubChem CID 175573876) has the molecular formula C26H27NO3 and a molecular weight of 401.51 g/mol. Its IUPAC name is ethyl 2-[(4-methylbenzoyl)amino]-4,4-diphenylbutanoate.

Molecular Properties

Compound Nameethyl 2-[(4-methylbenzoyl)amino]-4,4-diphenylbutanoate
PubChem CID175573876
Molecular FormulaC26H27NO3
Molecular Weight401.51 g/mol
Exact Mass401.20
IUPAC Nameethyl 2-[(4-methylbenzoyl)amino]-4,4-diphenylbutanoate
SMILESCCOC(=O)C(CC(c1ccccc1)c1ccccc1)NC(=O)c1ccc(C)cc1
InChIInChI=1S/C26H27NO3/c1-3-30-26(29)24(27-25(28)22-16-14-19(2)15-17-22)18-23(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-17,23-24H,3,18H2,1-2H3,(H,27,28)
InChIKeyBYHCBWRWMUPESV-UHFFFAOYSA-N
XLogP4.88
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-hydroxy-3-[(4-methylbenzoyl)amino]-3-phenylpropanoate
CID 175230442
ethyl 2-benzamido-4-methylpentanoate
CID 12773376
ethyl (2S,3S)-3-benzamido-2-hydroxy-3-(4-methylphenyl)propanoate
CID 163362380
diethyl 2-[(4-methylbenzoyl)amino]propanedioate
CID 17447783
diethyl (2R,4S)-2-benzamido-4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pentanedioate
CID 51669902
ethyl 2-[(4-phenylbenzoyl)amino]-3-pyridin-2-ylpropanoate
CID 119035446
pentadecyl 4-methyl-2-[(4-methylbenzoyl)amino]pentanoate
CID 91710762
ethyl 2-[[4-[4-[(1-ethoxy-1-oxo-3-sulfanylpropan-2-yl)carbamoyl]phenyl]benzoyl]amino]-3-sulfanylpropanoate
CID 58451974
4-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 730323
N-[hydroxy(phenyl)methyl]-4-methylbenzamide
CID 3358853
ethyl (2S,3S)-3-[(4-tert-butylbenzoyl)amino]-2-hydroxy-3-phenylpropanoate
CID 163362379
ethyl (2S,3R)-3-benzamido-2-methylbutanoate
CID 162414540

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-methylbenzoyl)amino]-4,4-diphenylbutanoate?
The IUPAC name of ethyl 2-[(4-methylbenzoyl)amino]-4,4-diphenylbutanoate (CID 175573876) is ethyl 2-[(4-methylbenzoyl)amino]-4,4-diphenylbutanoate.
What is the SMILES notation for ethyl 2-[(4-methylbenzoyl)amino]-4,4-diphenylbutanoate?
The canonical SMILES for ethyl 2-[(4-methylbenzoyl)amino]-4,4-diphenylbutanoate is CCOC(=O)C(CC(c1ccccc1)c1ccccc1)NC(=O)c1ccc(C)cc1.
What is the InChIKey of ethyl 2-[(4-methylbenzoyl)amino]-4,4-diphenylbutanoate?
The InChIKey is BYHCBWRWMUPESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO3/c1-3-30-26(29)24(27-25(28)22-16-14-19(2)15-17-22)18-23(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-17,23-24H,3,18H2,1-2H3,(H,27,28).
What are the key properties of ethyl 2-[(4-methylbenzoyl)amino]-4,4-diphenylbutanoate?
ethyl 2-[(4-methylbenzoyl)amino]-4,4-diphenylbutanoate has a molecular weight of 401.51 g/mol, XLogP of 4.88, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-methylbenzoyl)amino]-4,4-diphenylbutanoate is sourced from PubChem (CID 175573876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).