[1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 2-(cyclopentanecarbonylamino)-4,5-dimethoxybenzoate

C25H29N3O7 — CID 16578000

IUPAC[1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 2-(cyclopentanecarbonylamino)-4,5-dimethoxybenzoate
SMILESCOc1cc(NC(=O)C2CCCC2)c(C(=O)OC(C)C(=O)NC(=O)Nc2ccccc2)cc1OC
InChIInChI=1S/C25H29N3O7/c1-15(22(29)28-25(32)26-17-11-5-4-6-12-17)35-24(31)18-13-20(33-2)21(34-3)14-19(18)27-23(30)16-9-7-8-10-16/h4-6,11-16H,7-10H2,1-3H3,(H,27,30)(H2,26,28,29,32)
InChIKeyIVLMISNRTCZDGA-UHFFFAOYSA-N
MW483.52 g/mol
LogP3.73
Rot. Bonds8

About [1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 2-(cyclopentanecarbonylamino)-4,5-dimethoxybenzoate

[1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 2-(cyclopentanecarbonylamino)-4,5-dimethoxybenzoate (PubChem CID 16578000) has the molecular formula C25H29N3O7 and a molecular weight of 483.52 g/mol. Its IUPAC name is [1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 2-(cyclopentanecarbonylamino)-4,5-dimethoxybenzoate.

Molecular Properties

Compound Name[1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 2-(cyclopentanecarbonylamino)-4,5-dimethoxybenzoate
PubChem CID16578000
Molecular FormulaC25H29N3O7
Molecular Weight483.52 g/mol
Exact Mass483.20
IUPAC Name[1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 2-(cyclopentanecarbonylamino)-4,5-dimethoxybenzoate
SMILESCOc1cc(NC(=O)C2CCCC2)c(C(=O)OC(C)C(=O)NC(=O)Nc2ccccc2)cc1OC
InChIInChI=1S/C25H29N3O7/c1-15(22(29)28-25(32)26-17-11-5-4-6-12-17)35-24(31)18-13-20(33-2)21(34-3)14-19(18)27-23(30)16-9-7-8-10-16/h4-6,11-16H,7-10H2,1-3H3,(H,27,30)(H2,26,28,29,32)
InChIKeyIVLMISNRTCZDGA-UHFFFAOYSA-N
XLogP3.73
TPSA132.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.52
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

[1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 2-(cyclopentanecarbonylamino)-4,5-dimethoxybenzoate
CID 42982196
[(1R)-1-cyanoethyl] 2-(cyclohexanecarbonylamino)-4,5-dimethoxybenzoate
CID 7812116
4-N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 55638882
(2-amino-2-oxoethyl) 2-(cyclohexanecarbonylamino)-4,5-dimethoxybenzoate
CID 7812130
3-(cyclopentanecarbonylamino)-4-methoxy-N-phenylbenzamide
CID 70686592
[1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 3-methoxybenzoate
CID 46668075
[1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 2-propan-2-ylquinoline-4-carboxylate
CID 55481598
[(2S)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 4-methoxynaphthalene-1-carboxylate
CID 9003218
[1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 4,5-dimethoxy-2-[(2-methylcyclopropanecarbonyl)amino]benzoate
CID 55311724
N-[3-(cyclopentanecarbonylamino)phenyl]-2-methoxybenzamide
CID 46880084
[(3R)-2-oxooxolan-3-yl] 2-(cyclohexanecarbonylamino)-4,5-dimethoxybenzoate
CID 7812138
[2-(3,5-dimethylanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)-4,5-dimethoxybenzoate
CID 42980762

Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 2-(cyclopentanecarbonylamino)-4,5-dimethoxybenzoate?
The IUPAC name of [1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 2-(cyclopentanecarbonylamino)-4,5-dimethoxybenzoate (CID 16578000) is [1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 2-(cyclopentanecarbonylamino)-4,5-dimethoxybenzoate.
What is the SMILES notation for [1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 2-(cyclopentanecarbonylamino)-4,5-dimethoxybenzoate?
The canonical SMILES for [1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 2-(cyclopentanecarbonylamino)-4,5-dimethoxybenzoate is COc1cc(NC(=O)C2CCCC2)c(C(=O)OC(C)C(=O)NC(=O)Nc2ccccc2)cc1OC.
What is the InChIKey of [1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 2-(cyclopentanecarbonylamino)-4,5-dimethoxybenzoate?
The InChIKey is IVLMISNRTCZDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O7/c1-15(22(29)28-25(32)26-17-11-5-4-6-12-17)35-24(31)18-13-20(33-2)21(34-3)14-19(18)27-23(30)16-9-7-8-10-16/h4-6,11-16H,7-10H2,1-3H3,(H,27,30)(H2,26,28,29,32).
What are the key properties of [1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 2-(cyclopentanecarbonylamino)-4,5-dimethoxybenzoate?
[1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 2-(cyclopentanecarbonylamino)-4,5-dimethoxybenzoate has a molecular weight of 483.52 g/mol, XLogP of 3.73, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 2-(cyclopentanecarbonylamino)-4,5-dimethoxybenzoate is sourced from PubChem (CID 16578000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).