[(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl] 2-[(4-methoxybenzoyl)amino]benzoate

C24H28N2O5 — CID 8987900

IUPAC[(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl] 2-[(4-methoxybenzoyl)amino]benzoate
SMILESCOc1ccc(C(=O)Nc2ccccc2C(=O)O[C@H](C)C(=O)N2CCCCCC2)cc1
InChIInChI=1S/C24H28N2O5/c1-17(23(28)26-15-7-3-4-8-16-26)31-24(29)20-9-5-6-10-21(20)25-22(27)18-11-13-19(30-2)14-12-18/h5-6,9-14,17H,3-4,7-8,15-16H2,1-2H3,(H,25,27)/t17-/m1/s1
InChIKeyUGUUYYHSLVAXPC-QGZVFWFLSA-N
MW424.50 g/mol
LogP3.90
Rot. Bonds6

About [(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl] 2-[(4-methoxybenzoyl)amino]benzoate

[(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl] 2-[(4-methoxybenzoyl)amino]benzoate (PubChem CID 8987900) has the molecular formula C24H28N2O5 and a molecular weight of 424.50 g/mol. Its IUPAC name is [(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl] 2-[(4-methoxybenzoyl)amino]benzoate.

Molecular Properties

Compound Name[(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl] 2-[(4-methoxybenzoyl)amino]benzoate
PubChem CID8987900
Molecular FormulaC24H28N2O5
Molecular Weight424.50 g/mol
Exact Mass424.20
IUPAC Name[(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl] 2-[(4-methoxybenzoyl)amino]benzoate
SMILESCOc1ccc(C(=O)Nc2ccccc2C(=O)O[C@H](C)C(=O)N2CCCCCC2)cc1
InChIInChI=1S/C24H28N2O5/c1-17(23(28)26-15-7-3-4-8-16-26)31-24(29)20-9-5-6-10-21(20)25-22(27)18-11-13-19(30-2)14-12-18/h5-6,9-14,17H,3-4,7-8,15-16H2,1-2H3,(H,25,27)/t17-/m1/s1
InChIKeyUGUUYYHSLVAXPC-QGZVFWFLSA-N
XLogP3.90
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl] 2-[(4-methoxybenzoyl)amino]benzoate with MolForge

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Related Compounds

2-[(4-methoxybenzoyl)amino]-N-(3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl)benzamide
CID 2868109
2-[(4-methoxybenzoyl)amino]benzoic acid
CID 721421
4-methoxy-N-[2-[4-[2-oxo-2-(propan-2-ylamino)acetyl]piperazine-1-carbonyl]phenyl]benzamide
CID 55628552
(1-oxo-1-piperidin-1-ylpropan-2-yl) 2-aminobenzoate
CID 61322981
1-N,4-N-bis[2-(azepane-1-carbonyl)phenyl]benzene-1,4-dicarboxamide
CID 4938376
N-(2-acetylphenyl)-4-methoxybenzamide
CID 3509429
4-methoxy-N-[2-(piperazine-1-carbonyl)phenyl]benzamide
CID 119403655
4-methoxy-N-[2-[3-(methylamino)piperidine-1-carbonyl]phenyl]benzamide
CID 119493451
4-methoxy-N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]benzamide
CID 55376450
2-[2-[(4-methoxybenzoyl)amino]phenyl]-2-oxoacetic acid
CID 102378800
[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 2-phenoxybenzoate
CID 7950325
[amino-[2-[(4-methoxybenzoyl)amino]phenyl]methylidene]-hydroxyazanium
CID 4524744

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl] 2-[(4-methoxybenzoyl)amino]benzoate?
The IUPAC name of [(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl] 2-[(4-methoxybenzoyl)amino]benzoate (CID 8987900) is [(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl] 2-[(4-methoxybenzoyl)amino]benzoate.
What is the SMILES notation for [(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl] 2-[(4-methoxybenzoyl)amino]benzoate?
The canonical SMILES for [(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl] 2-[(4-methoxybenzoyl)amino]benzoate is COc1ccc(C(=O)Nc2ccccc2C(=O)O[C@H](C)C(=O)N2CCCCCC2)cc1.
What is the InChIKey of [(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl] 2-[(4-methoxybenzoyl)amino]benzoate?
The InChIKey is UGUUYYHSLVAXPC-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H28N2O5/c1-17(23(28)26-15-7-3-4-8-16-26)31-24(29)20-9-5-6-10-21(20)25-22(27)18-11-13-19(30-2)14-12-18/h5-6,9-14,17H,3-4,7-8,15-16H2,1-2H3,(H,25,27)/t17-/m1/s1.
What are the key properties of [(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl] 2-[(4-methoxybenzoyl)amino]benzoate?
[(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl] 2-[(4-methoxybenzoyl)amino]benzoate has a molecular weight of 424.50 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl] 2-[(4-methoxybenzoyl)amino]benzoate is sourced from PubChem (CID 8987900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).