methyl 2-[[3-(cyclohexanecarbonylamino)benzoyl]amino]-2-phenylacetate

C23H26N2O4 — CID 60609882

IUPACmethyl 2-[[3-(cyclohexanecarbonylamino)benzoyl]amino]-2-phenylacetate
SMILESCOC(=O)C(NC(=O)c1cccc(NC(=O)C2CCCCC2)c1)c1ccccc1
InChIInChI=1S/C23H26N2O4/c1-29-23(28)20(16-9-4-2-5-10-16)25-22(27)18-13-8-14-19(15-18)24-21(26)17-11-6-3-7-12-17/h2,4-5,8-10,13-15,17,20H,3,6-7,11-12H2,1H3,(H,24,26)(H,25,27)
InChIKeyRKBRCLQVNSENOU-UHFFFAOYSA-N
MW394.47 g/mol
LogP3.85
Rot. Bonds6

About methyl 2-[[3-(cyclohexanecarbonylamino)benzoyl]amino]-2-phenylacetate

methyl 2-[[3-(cyclohexanecarbonylamino)benzoyl]amino]-2-phenylacetate (PubChem CID 60609882) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is methyl 2-[[3-(cyclohexanecarbonylamino)benzoyl]amino]-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-[[3-(cyclohexanecarbonylamino)benzoyl]amino]-2-phenylacetate
PubChem CID60609882
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Namemethyl 2-[[3-(cyclohexanecarbonylamino)benzoyl]amino]-2-phenylacetate
SMILESCOC(=O)C(NC(=O)c1cccc(NC(=O)C2CCCCC2)c1)c1ccccc1
InChIInChI=1S/C23H26N2O4/c1-29-23(28)20(16-9-4-2-5-10-16)25-22(27)18-13-8-14-19(15-18)24-21(26)17-11-6-3-7-12-17/h2,4-5,8-10,13-15,17,20H,3,6-7,11-12H2,1H3,(H,24,26)(H,25,27)
InChIKeyRKBRCLQVNSENOU-UHFFFAOYSA-N
XLogP3.85
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(cyclohexanecarbonylamino)-N-methoxybenzamide
CID 38039849
3-(cyclopropanecarbonylamino)-N-propan-2-ylbenzamide
CID 17197396
3-(cyclohexanecarbonylamino)-N-(1-hydroxypropan-2-yl)benzamide
CID 78866259
N-[(2S)-butan-2-yl]-3-(cyclohexanecarbonylamino)benzamide
CID 42427444
N-[3-(1-aminoethyl)phenyl]cyclohexanecarboxamide
CID 16796065
N-[3-(1-aminoethyl)phenyl]cyclopentanecarboxamide
CID 16787772
methyl (2S)-2-[[3-(cyclopropanecarbonylamino)benzoyl]amino]-2-(1-methylpyrazol-3-yl)acetate
CID 99791032
methyl (2R)-2-[[3-(cyclopropanecarbonylamino)benzoyl]amino]-2-(1-methylpyrazol-3-yl)acetate
CID 99791033
methyl (2R)-2-[(3-bromobenzoyl)amino]-2-phenylacetate
CID 40541065
3-(cyclohexanecarbonylamino)-N-(2-methoxyethyl)benzamide
CID 17218956
N-(1-amino-4-methylpentan-2-yl)-3-(cyclohexanecarbonylamino)benzamide;hydrochloride
CID 119588133
3-(cyclopropanecarbonylamino)-N-(2-methoxy-2-phenylethyl)benzamide
CID 51088978

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-(cyclohexanecarbonylamino)benzoyl]amino]-2-phenylacetate?
The IUPAC name of methyl 2-[[3-(cyclohexanecarbonylamino)benzoyl]amino]-2-phenylacetate (CID 60609882) is methyl 2-[[3-(cyclohexanecarbonylamino)benzoyl]amino]-2-phenylacetate.
What is the SMILES notation for methyl 2-[[3-(cyclohexanecarbonylamino)benzoyl]amino]-2-phenylacetate?
The canonical SMILES for methyl 2-[[3-(cyclohexanecarbonylamino)benzoyl]amino]-2-phenylacetate is COC(=O)C(NC(=O)c1cccc(NC(=O)C2CCCCC2)c1)c1ccccc1.
What is the InChIKey of methyl 2-[[3-(cyclohexanecarbonylamino)benzoyl]amino]-2-phenylacetate?
The InChIKey is RKBRCLQVNSENOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-29-23(28)20(16-9-4-2-5-10-16)25-22(27)18-13-8-14-19(15-18)24-21(26)17-11-6-3-7-12-17/h2,4-5,8-10,13-15,17,20H,3,6-7,11-12H2,1H3,(H,24,26)(H,25,27).
What are the key properties of methyl 2-[[3-(cyclohexanecarbonylamino)benzoyl]amino]-2-phenylacetate?
methyl 2-[[3-(cyclohexanecarbonylamino)benzoyl]amino]-2-phenylacetate has a molecular weight of 394.47 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-(cyclohexanecarbonylamino)benzoyl]amino]-2-phenylacetate is sourced from PubChem (CID 60609882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).