N-(3,4-dimethoxyphenyl)-1-[3-[5-(methylamino)imidazol-1-yl]propanoylamino]cyclopentane-1-carboxamide

C21H29N5O4 — CID 165177170

IUPACN-(3,4-dimethoxyphenyl)-1-[3-[5-(methylamino)imidazol-1-yl]propanoylamino]cyclopentane-1-carboxamide
SMILESCNc1cncn1CCC(=O)NC1(C(=O)Nc2ccc(OC)c(OC)c2)CCCC1
InChIInChI=1S/C21H29N5O4/c1-22-18-13-23-14-26(18)11-8-19(27)25-21(9-4-5-10-21)20(28)24-15-6-7-16(29-2)17(12-15)30-3/h6-7,12-14,22H,4-5,8-11H2,1-3H3,(H,24,28)(H,25,27)
InChIKeyMLNQHXSJBMPZKP-UHFFFAOYSA-N
MW415.49 g/mol
LogP2.40
Rot. Bonds9

About N-(3,4-dimethoxyphenyl)-1-[3-[5-(methylamino)imidazol-1-yl]propanoylamino]cyclopentane-1-carboxamide

N-(3,4-dimethoxyphenyl)-1-[3-[5-(methylamino)imidazol-1-yl]propanoylamino]cyclopentane-1-carboxamide (PubChem CID 165177170) has the molecular formula C21H29N5O4 and a molecular weight of 415.49 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-1-[3-[5-(methylamino)imidazol-1-yl]propanoylamino]cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-1-[3-[5-(methylamino)imidazol-1-yl]propanoylamino]cyclopentane-1-carboxamide
PubChem CID165177170
Molecular FormulaC21H29N5O4
Molecular Weight415.49 g/mol
Exact Mass415.22
IUPAC NameN-(3,4-dimethoxyphenyl)-1-[3-[5-(methylamino)imidazol-1-yl]propanoylamino]cyclopentane-1-carboxamide
SMILESCNc1cncn1CCC(=O)NC1(C(=O)Nc2ccc(OC)c(OC)c2)CCCC1
InChIInChI=1S/C21H29N5O4/c1-22-18-13-23-14-26(18)11-8-19(27)25-21(9-4-5-10-21)20(28)24-15-6-7-16(29-2)17(12-15)30-3/h6-7,12-14,22H,4-5,8-11H2,1-3H3,(H,24,28)(H,25,27)
InChIKeyMLNQHXSJBMPZKP-UHFFFAOYSA-N
XLogP2.40
TPSA106.51 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

1-(benzylcarbamoylamino)-N-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide
CID 33330452
N-(3,4-dimethoxyphenyl)-1-(3-imidazol-1-ylpropylamino)cyclopentane-1-carboxamide
CID 165177168
N-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]-1-(3-imidazol-1-ylpropanoylamino)cyclopropane-1-carboxamide
CID 165177176
1-cyano-N-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide
CID 29240913
1-cyano-N-(3,4-dimethoxyphenyl)cyclobutane-1-carboxamide
CID 78994979
3-(benzimidazol-1-yl)-N-(3,4-dimethoxyphenyl)propanamide
CID 36842808
1-cyano-N-(3,4-dimethoxyphenyl)cyclopropane-1-carboxamide
CID 80599311
3-(azepan-1-yl)-N-(3,4-dimethoxyphenyl)propanamide
CID 109033634
1-acetamido-N-(3-amino-4-methoxyphenyl)cyclohexane-1-carboxamide
CID 119418958
1-amino-N-(3,4-dimethoxyphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119263106
1-[(3,4-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 55034788
N,N'-bis(3,4-dimethoxyphenyl)propanediamide
CID 21232287

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-1-[3-[5-(methylamino)imidazol-1-yl]propanoylamino]cyclopentane-1-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-1-[3-[5-(methylamino)imidazol-1-yl]propanoylamino]cyclopentane-1-carboxamide (CID 165177170) is N-(3,4-dimethoxyphenyl)-1-[3-[5-(methylamino)imidazol-1-yl]propanoylamino]cyclopentane-1-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-1-[3-[5-(methylamino)imidazol-1-yl]propanoylamino]cyclopentane-1-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-1-[3-[5-(methylamino)imidazol-1-yl]propanoylamino]cyclopentane-1-carboxamide is CNc1cncn1CCC(=O)NC1(C(=O)Nc2ccc(OC)c(OC)c2)CCCC1.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-1-[3-[5-(methylamino)imidazol-1-yl]propanoylamino]cyclopentane-1-carboxamide?
The InChIKey is MLNQHXSJBMPZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O4/c1-22-18-13-23-14-26(18)11-8-19(27)25-21(9-4-5-10-21)20(28)24-15-6-7-16(29-2)17(12-15)30-3/h6-7,12-14,22H,4-5,8-11H2,1-3H3,(H,24,28)(H,25,27).
What are the key properties of N-(3,4-dimethoxyphenyl)-1-[3-[5-(methylamino)imidazol-1-yl]propanoylamino]cyclopentane-1-carboxamide?
N-(3,4-dimethoxyphenyl)-1-[3-[5-(methylamino)imidazol-1-yl]propanoylamino]cyclopentane-1-carboxamide has a molecular weight of 415.49 g/mol, XLogP of 2.40, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-1-[3-[5-(methylamino)imidazol-1-yl]propanoylamino]cyclopentane-1-carboxamide is sourced from PubChem (CID 165177170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).