N-benzyl-2-[(4-methylphenyl)carbamoyl-propylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide

C26H32N4O2 — CID 42768059

IUPACN-benzyl-2-[(4-methylphenyl)carbamoyl-propylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
SMILESCCCN(CC(=O)N(Cc1ccccc1)Cc1cccn1C)C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C26H32N4O2/c1-4-16-29(26(32)27-23-14-12-21(2)13-15-23)20-25(31)30(18-22-9-6-5-7-10-22)19-24-11-8-17-28(24)3/h5-15,17H,4,16,18-20H2,1-3H3,(H,27,32)
InChIKeyNYBNBGMYSDDMFQ-UHFFFAOYSA-N
MW432.57 g/mol
LogP4.81
Rot. Bonds9

About N-benzyl-2-[(4-methylphenyl)carbamoyl-propylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide

N-benzyl-2-[(4-methylphenyl)carbamoyl-propylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide (PubChem CID 42768059) has the molecular formula C26H32N4O2 and a molecular weight of 432.57 g/mol. Its IUPAC name is N-benzyl-2-[(4-methylphenyl)carbamoyl-propylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[(4-methylphenyl)carbamoyl-propylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
PubChem CID42768059
Molecular FormulaC26H32N4O2
Molecular Weight432.57 g/mol
Exact Mass432.25
IUPAC NameN-benzyl-2-[(4-methylphenyl)carbamoyl-propylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
SMILESCCCN(CC(=O)N(Cc1ccccc1)Cc1cccn1C)C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C26H32N4O2/c1-4-16-29(26(32)27-23-14-12-21(2)13-15-23)20-25(31)30(18-22-9-6-5-7-10-22)19-24-11-8-17-28(24)3/h5-15,17H,4,16,18-20H2,1-3H3,(H,27,32)
InChIKeyNYBNBGMYSDDMFQ-UHFFFAOYSA-N
XLogP4.81
TPSA57.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-[(2,4-dimethylphenyl)carbamoyl-propylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3284665
N-benzyl-2-[butyl-[(3-methylphenyl)carbamoyl]amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3933042
N-benzyl-N-[(1-methylpyrrol-2-yl)methyl]-2-[(4-methylsulfanylphenyl)carbamoyl-prop-2-enylamino]acetamide
CID 3932373
2-[(3,4-dimethylphenyl)carbamoyl-propylamino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3562437
(E)-N-[2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3-phenyl-N-propylprop-2-enamide
CID 6255006
2-[butyl(phenylcarbamoyl)amino]-N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3460069
1-benzyl-3-phenyl-1-propylurea
CID 78786424
N-[2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-[(2R)-butan-2-yl]-4-methylbenzamide
CID 7397232
N-butyl-2-[(4-ethylphenyl)carbamoyl-(3-methoxypropyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3650210
1-benzyl-3-(4-methylphenyl)-1-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]urea
CID 4612905
N-cyclopropyl-2-[(3-ethylphenyl)carbamoyl-propylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3437307
N-benzyl-N-[(1-methylpyrrol-2-yl)methyl]-2-[(4-nitrophenyl)carbamoyl-propan-2-ylamino]acetamide
CID 42767507

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(4-methylphenyl)carbamoyl-propylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
The IUPAC name of N-benzyl-2-[(4-methylphenyl)carbamoyl-propylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide (CID 42768059) is N-benzyl-2-[(4-methylphenyl)carbamoyl-propylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide.
What is the SMILES notation for N-benzyl-2-[(4-methylphenyl)carbamoyl-propylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
The canonical SMILES for N-benzyl-2-[(4-methylphenyl)carbamoyl-propylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide is CCCN(CC(=O)N(Cc1ccccc1)Cc1cccn1C)C(=O)Nc1ccc(C)cc1.
What is the InChIKey of N-benzyl-2-[(4-methylphenyl)carbamoyl-propylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
The InChIKey is NYBNBGMYSDDMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O2/c1-4-16-29(26(32)27-23-14-12-21(2)13-15-23)20-25(31)30(18-22-9-6-5-7-10-22)19-24-11-8-17-28(24)3/h5-15,17H,4,16,18-20H2,1-3H3,(H,27,32).
What are the key properties of N-benzyl-2-[(4-methylphenyl)carbamoyl-propylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
N-benzyl-2-[(4-methylphenyl)carbamoyl-propylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide has a molecular weight of 432.57 g/mol, XLogP of 4.81, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(4-methylphenyl)carbamoyl-propylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide is sourced from PubChem (CID 42768059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).