N-[(1-benzylpyrrol-2-yl)methyl]-N-cyclohexyl-2-[ethylcarbamoyl(propyl)amino]acetamide

C26H38N4O2 — CID 4306791

IUPACN-[(1-benzylpyrrol-2-yl)methyl]-N-cyclohexyl-2-[ethylcarbamoyl(propyl)amino]acetamide
SMILESCCCN(CC(=O)N(Cc1cccn1Cc1ccccc1)C1CCCCC1)C(=O)NCC
InChIInChI=1S/C26H38N4O2/c1-3-17-29(26(32)27-4-2)21-25(31)30(23-14-9-6-10-15-23)20-24-16-11-18-28(24)19-22-12-7-5-8-13-22/h5,7-8,11-13,16,18,23H,3-4,6,9-10,14-15,17,19-21H2,1-2H3,(H,27,32)
InChIKeyQSFICPRTAYRHNT-UHFFFAOYSA-N
MW438.62 g/mol
LogP4.64
Rot. Bonds10

About N-[(1-benzylpyrrol-2-yl)methyl]-N-cyclohexyl-2-[ethylcarbamoyl(propyl)amino]acetamide

N-[(1-benzylpyrrol-2-yl)methyl]-N-cyclohexyl-2-[ethylcarbamoyl(propyl)amino]acetamide (PubChem CID 4306791) has the molecular formula C26H38N4O2 and a molecular weight of 438.62 g/mol. Its IUPAC name is N-[(1-benzylpyrrol-2-yl)methyl]-N-cyclohexyl-2-[ethylcarbamoyl(propyl)amino]acetamide.

Molecular Properties

Compound NameN-[(1-benzylpyrrol-2-yl)methyl]-N-cyclohexyl-2-[ethylcarbamoyl(propyl)amino]acetamide
PubChem CID4306791
Molecular FormulaC26H38N4O2
Molecular Weight438.62 g/mol
Exact Mass438.30
IUPAC NameN-[(1-benzylpyrrol-2-yl)methyl]-N-cyclohexyl-2-[ethylcarbamoyl(propyl)amino]acetamide
SMILESCCCN(CC(=O)N(Cc1cccn1Cc1ccccc1)C1CCCCC1)C(=O)NCC
InChIInChI=1S/C26H38N4O2/c1-3-17-29(26(32)27-4-2)21-25(31)30(23-14-9-6-10-15-23)20-24-16-11-18-28(24)19-22-12-7-5-8-13-22/h5,7-8,11-13,16,18,23H,3-4,6,9-10,14-15,17,19-21H2,1-2H3,(H,27,32)
InChIKeyQSFICPRTAYRHNT-UHFFFAOYSA-N
XLogP4.64
TPSA57.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.62
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-benzylpyrrol-2-yl)methyl]-2-[tert-butylcarbamoyl(propyl)amino]-N-cyclohexylacetamide
CID 4000473
N-[2-[(1-benzylpyrrol-2-yl)methyl-cyclohexylamino]-2-oxoethyl]-N-pentylbenzamide
CID 3961367
N-[2-[(1-benzylpyrrol-2-yl)methyl-cyclohexylamino]-2-oxoethyl]-N-butylcyclopropanecarboxamide
CID 3929682
N-[2-[(1-benzylpyrrol-2-yl)methyl-cyclohexylamino]-2-oxoethyl]-N-(3-methoxypropyl)propanamide
CID 4241129
N-[2-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl-cyclohexylamino]-2-oxoethyl]-N-propylpentanamide
CID 4267643
N-[2-[(1-benzylpyrrol-2-yl)methyl-cyclohexylamino]-2-oxoethyl]-N-(3-methoxypropyl)heptanamide
CID 3979769
N-[2-[(1-benzylpyrrol-2-yl)methyl-cyclopropylamino]-2-oxoethyl]-N-cyclohexyl-3,3-dimethylbutanamide
CID 3993753
2-[benzylcarbamoyl(propyl)amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3906670
N-[2-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl-cyclohexylamino]-2-oxoethyl]-2-methyl-N-propylpropanamide
CID 3951622
N-[2-[(1-benzylpyrrol-2-yl)methyl-cyclohexylamino]-2-oxoethyl]-4-chloro-N-(2-methoxyethyl)benzamide
CID 4619179
N-butyl-N-[2-[cyclohexyl-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]amino]-2-oxoethyl]-4-phenylbenzamide
CID 5023389
N-[2-[(1-benzylpyrrol-2-yl)methyl-cyclopropylamino]-2-oxoethyl]-N-(2-methoxyethyl)cyclohexanecarboxamide
CID 4044130

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpyrrol-2-yl)methyl]-N-cyclohexyl-2-[ethylcarbamoyl(propyl)amino]acetamide?
The IUPAC name of N-[(1-benzylpyrrol-2-yl)methyl]-N-cyclohexyl-2-[ethylcarbamoyl(propyl)amino]acetamide (CID 4306791) is N-[(1-benzylpyrrol-2-yl)methyl]-N-cyclohexyl-2-[ethylcarbamoyl(propyl)amino]acetamide.
What is the SMILES notation for N-[(1-benzylpyrrol-2-yl)methyl]-N-cyclohexyl-2-[ethylcarbamoyl(propyl)amino]acetamide?
The canonical SMILES for N-[(1-benzylpyrrol-2-yl)methyl]-N-cyclohexyl-2-[ethylcarbamoyl(propyl)amino]acetamide is CCCN(CC(=O)N(Cc1cccn1Cc1ccccc1)C1CCCCC1)C(=O)NCC.
What is the InChIKey of N-[(1-benzylpyrrol-2-yl)methyl]-N-cyclohexyl-2-[ethylcarbamoyl(propyl)amino]acetamide?
The InChIKey is QSFICPRTAYRHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N4O2/c1-3-17-29(26(32)27-4-2)21-25(31)30(23-14-9-6-10-15-23)20-24-16-11-18-28(24)19-22-12-7-5-8-13-22/h5,7-8,11-13,16,18,23H,3-4,6,9-10,14-15,17,19-21H2,1-2H3,(H,27,32).
What are the key properties of N-[(1-benzylpyrrol-2-yl)methyl]-N-cyclohexyl-2-[ethylcarbamoyl(propyl)amino]acetamide?
N-[(1-benzylpyrrol-2-yl)methyl]-N-cyclohexyl-2-[ethylcarbamoyl(propyl)amino]acetamide has a molecular weight of 438.62 g/mol, XLogP of 4.64, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpyrrol-2-yl)methyl]-N-cyclohexyl-2-[ethylcarbamoyl(propyl)amino]acetamide is sourced from PubChem (CID 4306791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).