2-[cyclohexylcarbamoyl(propyl)amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide

C21H34N4O2 — CID 3932345

IUPAC2-[cyclohexylcarbamoyl(propyl)amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
SMILESCCCN(CC(=O)N(Cc1cccn1C)C1CC1)C(=O)NC1CCCCC1
InChIInChI=1S/C21H34N4O2/c1-3-13-24(21(27)22-17-8-5-4-6-9-17)16-20(26)25(18-11-12-18)15-19-10-7-14-23(19)2/h7,10,14,17-18H,3-6,8-9,11-13,15-16H2,1-2H3,(H,22,27)
InChIKeyAADHLCWOPDFJIN-UHFFFAOYSA-N
MW374.53 g/mol
LogP3.27
Rot. Bonds8

About 2-[cyclohexylcarbamoyl(propyl)amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide

2-[cyclohexylcarbamoyl(propyl)amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide (PubChem CID 3932345) has the molecular formula C21H34N4O2 and a molecular weight of 374.53 g/mol. Its IUPAC name is 2-[cyclohexylcarbamoyl(propyl)amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[cyclohexylcarbamoyl(propyl)amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
PubChem CID3932345
Molecular FormulaC21H34N4O2
Molecular Weight374.53 g/mol
Exact Mass374.27
IUPAC Name2-[cyclohexylcarbamoyl(propyl)amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
SMILESCCCN(CC(=O)N(Cc1cccn1C)C1CC1)C(=O)NC1CCCCC1
InChIInChI=1S/C21H34N4O2/c1-3-13-24(21(27)22-17-8-5-4-6-9-17)16-20(26)25(18-11-12-18)15-19-10-7-14-23(19)2/h7,10,14,17-18H,3-6,8-9,11-13,15-16H2,1-2H3,(H,22,27)
InChIKeyAADHLCWOPDFJIN-UHFFFAOYSA-N
XLogP3.27
TPSA57.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-propylbutanamide
CID 5002955
2-[benzylcarbamoyl(propyl)amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3906670
N-cyclopropyl-2-[(2-methylphenyl)carbamoyl-propylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3887367
N-cyclopropyl-2-[(3-ethylphenyl)carbamoyl-propylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3437307
2-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl-propylamino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 4211008
N-cyclopropyl-2-[(2,4-difluorophenyl)carbamoyl-propylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3972371
N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]-2-[propyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]acetamide
CID 3430639
N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-4-nitro-N-propylbenzamide
CID 4044009
2-[butyl(naphthalen-1-ylcarbamoyl)amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3880638
N-butyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3,3-dimethylbutanamide
CID 4675917
N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-propyl-3-(trifluoromethyl)benzamide
CID 4044022
2-[butyl-[(3-fluorophenyl)carbamoyl]amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 5108993

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexylcarbamoyl(propyl)amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
The IUPAC name of 2-[cyclohexylcarbamoyl(propyl)amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide (CID 3932345) is 2-[cyclohexylcarbamoyl(propyl)amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[cyclohexylcarbamoyl(propyl)amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
The canonical SMILES for 2-[cyclohexylcarbamoyl(propyl)amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide is CCCN(CC(=O)N(Cc1cccn1C)C1CC1)C(=O)NC1CCCCC1.
What is the InChIKey of 2-[cyclohexylcarbamoyl(propyl)amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
The InChIKey is AADHLCWOPDFJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O2/c1-3-13-24(21(27)22-17-8-5-4-6-9-17)16-20(26)25(18-11-12-18)15-19-10-7-14-23(19)2/h7,10,14,17-18H,3-6,8-9,11-13,15-16H2,1-2H3,(H,22,27).
What are the key properties of 2-[cyclohexylcarbamoyl(propyl)amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
2-[cyclohexylcarbamoyl(propyl)amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide has a molecular weight of 374.53 g/mol, XLogP of 3.27, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexylcarbamoyl(propyl)amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide is sourced from PubChem (CID 3932345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).