(2Z)-2-(cyclopentylcarbamoylimino)-N-[1-[(3,5-dimethoxyphenyl)methylamino]-1,2-dioxopentan-3-yl]-4-methylpentanamide

C26H38N4O6 — CID 178040950

IUPAC(2Z)-2-(cyclopentylcarbamoylimino)-N-[1-[(3,5-dimethoxyphenyl)methylamino]-1,2-dioxopentan-3-yl]-4-methylpentanamide
SMILESCCC(NC(=O)/C(CC(C)C)=N\C(=O)NC1CCCC1)C(=O)C(=O)NCc1cc(OC)cc(OC)c1
InChIInChI=1S/C26H38N4O6/c1-6-21(23(31)25(33)27-15-17-12-19(35-4)14-20(13-17)36-5)29-24(32)22(11-16(2)3)30-26(34)28-18-9-7-8-10-18/h12-14,16,18,21H,6-11,15H2,1-5H3,(H,27,33)(H,28,34)(H,29,32)/b30-22-
InChIKeyCAPONGJIEUIWBV-SWKFRHMKSA-N
MW502.61 g/mol
LogP2.92
Rot. Bonds12

About (2Z)-2-(cyclopentylcarbamoylimino)-N-[1-[(3,5-dimethoxyphenyl)methylamino]-1,2-dioxopentan-3-yl]-4-methylpentanamide

(2Z)-2-(cyclopentylcarbamoylimino)-N-[1-[(3,5-dimethoxyphenyl)methylamino]-1,2-dioxopentan-3-yl]-4-methylpentanamide (PubChem CID 178040950) has the molecular formula C26H38N4O6 and a molecular weight of 502.61 g/mol. Its IUPAC name is (2Z)-2-(cyclopentylcarbamoylimino)-N-[1-[(3,5-dimethoxyphenyl)methylamino]-1,2-dioxopentan-3-yl]-4-methylpentanamide.

Molecular Properties

Compound Name(2Z)-2-(cyclopentylcarbamoylimino)-N-[1-[(3,5-dimethoxyphenyl)methylamino]-1,2-dioxopentan-3-yl]-4-methylpentanamide
PubChem CID178040950
Molecular FormulaC26H38N4O6
Molecular Weight502.61 g/mol
Exact Mass502.28
IUPAC Name(2Z)-2-(cyclopentylcarbamoylimino)-N-[1-[(3,5-dimethoxyphenyl)methylamino]-1,2-dioxopentan-3-yl]-4-methylpentanamide
SMILESCCC(NC(=O)/C(CC(C)C)=N\C(=O)NC1CCCC1)C(=O)C(=O)NCc1cc(OC)cc(OC)c1
InChIInChI=1S/C26H38N4O6/c1-6-21(23(31)25(33)27-15-17-12-19(35-4)14-20(13-17)36-5)29-24(32)22(11-16(2)3)30-26(34)28-18-9-7-8-10-18/h12-14,16,18,21H,6-11,15H2,1-5H3,(H,27,33)(H,28,34)(H,29,32)/b30-22-
InChIKeyCAPONGJIEUIWBV-SWKFRHMKSA-N
XLogP2.92
TPSA135.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.61
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-N-[1-[(3,5-dimethoxyphenyl)methylamino]-1,2-dioxopentan-3-yl]-4-methylpentanamide
CID 156831725
(2S)-2-(benzylcarbamoylamino)-N-[(3S)-1-[(3,5-dimethoxyphenyl)methylamino]-1,2-dioxopentan-3-yl]-4-methylpentanamide
CID 156831751
benzyl N-[(2S)-1-[[1-[(3,5-dimethoxyphenyl)methylamino]-1,2-dioxopentan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 10578062
(2S)-2-[(3,4-dichlorophenyl)methylcarbamoylamino]-N-[1-[(3,5-dimethoxyphenyl)methylamino]-1,2-dioxopentan-3-yl]-4-methylpentanamide
CID 166709330
2-[(3,4-dichlorophenyl)methylcarbamoylamino]-N-[1-[(3,5-dimethoxyphenyl)methylamino]-1,2-dioxopentan-3-yl]-4-methylpentanamide
CID 166709331
N-[1-[(3,5-dimethoxyphenyl)methylamino]-1,2-dioxopentan-3-yl]-4-methyl-2-(pyridin-3-ylcarbamoylamino)pentanamide
CID 166709308
2-[(4-cyano-2-methoxyphenyl)methylcarbamoylamino]-N-[1-[(3,5-dimethoxyphenyl)methylamino]-1,2-dioxopentan-3-yl]-4-methylpentanamide
CID 166709332
(2S)-N-[1-[(3,5-dimethoxyphenyl)methylamino]-1,2-dioxopentan-3-yl]-2-[(4-methanimidoyl-2-methoxyphenyl)methylcarbamoylamino]-4-methylpentanamide
CID 166719658
N-[(3,5-dimethoxyphenyl)methyl]-2-methylpropanamide
CID 22954105
(1S)-1-cyclopentyl-N-[(3,5-dimethoxyphenyl)methyl]ethanamine
CID 81385952
(1R)-1-cyclopentyl-N-[(3,5-dimethoxyphenyl)methyl]ethanamine
CID 81395158
N-cyclopentyl-3,5-dimethoxybenzamide
CID 2303723

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(cyclopentylcarbamoylimino)-N-[1-[(3,5-dimethoxyphenyl)methylamino]-1,2-dioxopentan-3-yl]-4-methylpentanamide?
The IUPAC name of (2Z)-2-(cyclopentylcarbamoylimino)-N-[1-[(3,5-dimethoxyphenyl)methylamino]-1,2-dioxopentan-3-yl]-4-methylpentanamide (CID 178040950) is (2Z)-2-(cyclopentylcarbamoylimino)-N-[1-[(3,5-dimethoxyphenyl)methylamino]-1,2-dioxopentan-3-yl]-4-methylpentanamide.
What is the SMILES notation for (2Z)-2-(cyclopentylcarbamoylimino)-N-[1-[(3,5-dimethoxyphenyl)methylamino]-1,2-dioxopentan-3-yl]-4-methylpentanamide?
The canonical SMILES for (2Z)-2-(cyclopentylcarbamoylimino)-N-[1-[(3,5-dimethoxyphenyl)methylamino]-1,2-dioxopentan-3-yl]-4-methylpentanamide is CCC(NC(=O)/C(CC(C)C)=N\C(=O)NC1CCCC1)C(=O)C(=O)NCc1cc(OC)cc(OC)c1.
What is the InChIKey of (2Z)-2-(cyclopentylcarbamoylimino)-N-[1-[(3,5-dimethoxyphenyl)methylamino]-1,2-dioxopentan-3-yl]-4-methylpentanamide?
The InChIKey is CAPONGJIEUIWBV-SWKFRHMKSA-N. The full InChI is InChI=1S/C26H38N4O6/c1-6-21(23(31)25(33)27-15-17-12-19(35-4)14-20(13-17)36-5)29-24(32)22(11-16(2)3)30-26(34)28-18-9-7-8-10-18/h12-14,16,18,21H,6-11,15H2,1-5H3,(H,27,33)(H,28,34)(H,29,32)/b30-22-.
What are the key properties of (2Z)-2-(cyclopentylcarbamoylimino)-N-[1-[(3,5-dimethoxyphenyl)methylamino]-1,2-dioxopentan-3-yl]-4-methylpentanamide?
(2Z)-2-(cyclopentylcarbamoylimino)-N-[1-[(3,5-dimethoxyphenyl)methylamino]-1,2-dioxopentan-3-yl]-4-methylpentanamide has a molecular weight of 502.61 g/mol, XLogP of 2.92, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(cyclopentylcarbamoylimino)-N-[1-[(3,5-dimethoxyphenyl)methylamino]-1,2-dioxopentan-3-yl]-4-methylpentanamide is sourced from PubChem (CID 178040950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).