[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 3-(phenylcarbamoylamino)propanoate

C19H27N3O4 — CID 7805429

IUPAC[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 3-(phenylcarbamoylamino)propanoate
SMILESCC1CCC(NC(=O)COC(=O)CCNC(=O)Nc2ccccc2)CC1
InChIInChI=1S/C19H27N3O4/c1-14-7-9-16(10-8-14)21-17(23)13-26-18(24)11-12-20-19(25)22-15-5-3-2-4-6-15/h2-6,14,16H,7-13H2,1H3,(H,21,23)(H2,20,22,25)
InChIKeyABOJVQPBFNVFCO-UHFFFAOYSA-N
MW361.44 g/mol
LogP2.44
Rot. Bonds7

About [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 3-(phenylcarbamoylamino)propanoate

[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 3-(phenylcarbamoylamino)propanoate (PubChem CID 7805429) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 3-(phenylcarbamoylamino)propanoate.

Molecular Properties

Compound Name[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 3-(phenylcarbamoylamino)propanoate
PubChem CID7805429
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC Name[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 3-(phenylcarbamoylamino)propanoate
SMILESCC1CCC(NC(=O)COC(=O)CCNC(=O)Nc2ccccc2)CC1
InChIInChI=1S/C19H27N3O4/c1-14-7-9-16(10-8-14)21-17(23)13-26-18(24)11-12-20-19(25)22-15-5-3-2-4-6-15/h2-6,14,16H,7-13H2,1H3,(H,21,23)(H2,20,22,25)
InChIKeyABOJVQPBFNVFCO-UHFFFAOYSA-N
XLogP2.44
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-3-(phenylcarbamoylamino)propanamide
CID 55893945
[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 3-(phenylcarbamoylamino)propanoate
CID 7805374
[2-(3-ethylanilino)-2-oxoethyl] 3-(phenylcarbamoylamino)propanoate
CID 7805318
2-methoxyethyl 3-(phenylcarbamoylamino)propanoate
CID 42242981
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 3-(thiophen-2-ylsulfonylamino)propanoate
CID 30197174
[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 3-(phenylcarbamoylamino)propanoate
CID 7805573
[2-(cyclopropylamino)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]propanoate
CID 7827370
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 3-(4-chlorophenyl)sulfanylpropanoate
CID 7840897
N-cyclopropyl-N'-phenylbutanediamide
CID 70314355
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-(phenylcarbamoylamino)propanoate
CID 7805358
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-benzylbenzoate
CID 7809504
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-(3-methyl-2-oxobenzimidazol-1-yl)acetate
CID 55503576

Frequently Asked Questions

What is the IUPAC name of [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 3-(phenylcarbamoylamino)propanoate?
The IUPAC name of [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 3-(phenylcarbamoylamino)propanoate (CID 7805429) is [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 3-(phenylcarbamoylamino)propanoate.
What is the SMILES notation for [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 3-(phenylcarbamoylamino)propanoate?
The canonical SMILES for [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 3-(phenylcarbamoylamino)propanoate is CC1CCC(NC(=O)COC(=O)CCNC(=O)Nc2ccccc2)CC1.
What is the InChIKey of [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 3-(phenylcarbamoylamino)propanoate?
The InChIKey is ABOJVQPBFNVFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-14-7-9-16(10-8-14)21-17(23)13-26-18(24)11-12-20-19(25)22-15-5-3-2-4-6-15/h2-6,14,16H,7-13H2,1H3,(H,21,23)(H2,20,22,25).
What are the key properties of [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 3-(phenylcarbamoylamino)propanoate?
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 3-(phenylcarbamoylamino)propanoate has a molecular weight of 361.44 g/mol, XLogP of 2.44, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 3-(phenylcarbamoylamino)propanoate is sourced from PubChem (CID 7805429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).