N-butyl-2-[(2,4-dimethylphenyl)carbamoyl-propan-2-ylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide

C24H36N4O2 — CID 4558488

IUPACN-butyl-2-[(2,4-dimethylphenyl)carbamoyl-propan-2-ylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
SMILESCCCCN(Cc1cccn1C)C(=O)CN(C(=O)Nc1ccc(C)cc1C)C(C)C
InChIInChI=1S/C24H36N4O2/c1-7-8-14-27(16-21-10-9-13-26(21)6)23(29)17-28(18(2)3)24(30)25-22-12-11-19(4)15-20(22)5/h9-13,15,18H,7-8,14,16-17H2,1-6H3,(H,25,30)
InChIKeyVVEWQTNXFFJUSE-UHFFFAOYSA-N
MW412.58 g/mol
LogP4.71
Rot. Bonds9

About N-butyl-2-[(2,4-dimethylphenyl)carbamoyl-propan-2-ylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide

N-butyl-2-[(2,4-dimethylphenyl)carbamoyl-propan-2-ylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide (PubChem CID 4558488) has the molecular formula C24H36N4O2 and a molecular weight of 412.58 g/mol. Its IUPAC name is N-butyl-2-[(2,4-dimethylphenyl)carbamoyl-propan-2-ylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-butyl-2-[(2,4-dimethylphenyl)carbamoyl-propan-2-ylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
PubChem CID4558488
Molecular FormulaC24H36N4O2
Molecular Weight412.58 g/mol
Exact Mass412.28
IUPAC NameN-butyl-2-[(2,4-dimethylphenyl)carbamoyl-propan-2-ylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
SMILESCCCCN(Cc1cccn1C)C(=O)CN(C(=O)Nc1ccc(C)cc1C)C(C)C
InChIInChI=1S/C24H36N4O2/c1-7-8-14-27(16-21-10-9-13-26(21)6)23(29)17-28(18(2)3)24(30)25-22-12-11-19(4)15-20(22)5/h9-13,15,18H,7-8,14,16-17H2,1-6H3,(H,25,30)
InChIKeyVVEWQTNXFFJUSE-UHFFFAOYSA-N
XLogP4.71
TPSA57.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.58
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-2-[(2,3-dichlorophenyl)carbamoyl-propan-2-ylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3383199
2-[(2,4-dimethylphenyl)carbamoyl-(2-methylpropyl)amino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3606939
N-benzyl-2-[(2,4-dimethylphenyl)carbamoyl-propylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3284665
N-[2-[butyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-propan-2-yloctanamide
CID 3502612
N-(2-methoxyethyl)-2-[(4-methylphenyl)carbamoyl-propan-2-ylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 4660693
N-[2-[butyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3,5-dimethoxy-N-propan-2-ylbenzamide
CID 3664975
2-[[(2R)-butan-2-yl]-(butylcarbamoyl)amino]-N-butyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 7286478
2-[acetyl(butan-2-yl)amino]-N-butyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 42767446
N-[2-[butyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-propan-2-yl-4-(trifluoromethyl)benzamide
CID 3283389
N-butyl-N-[(1-methylpyrrol-2-yl)methyl]-2-(propan-2-ylamino)acetamide
CID 42767351
2-[butan-2-yl-[(2-methylphenyl)carbamoyl]amino]-N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3644116
2-[(2-ethylphenyl)carbamoyl-propan-2-ylamino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3992333

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[(2,4-dimethylphenyl)carbamoyl-propan-2-ylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
The IUPAC name of N-butyl-2-[(2,4-dimethylphenyl)carbamoyl-propan-2-ylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide (CID 4558488) is N-butyl-2-[(2,4-dimethylphenyl)carbamoyl-propan-2-ylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide.
What is the SMILES notation for N-butyl-2-[(2,4-dimethylphenyl)carbamoyl-propan-2-ylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
The canonical SMILES for N-butyl-2-[(2,4-dimethylphenyl)carbamoyl-propan-2-ylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide is CCCCN(Cc1cccn1C)C(=O)CN(C(=O)Nc1ccc(C)cc1C)C(C)C.
What is the InChIKey of N-butyl-2-[(2,4-dimethylphenyl)carbamoyl-propan-2-ylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
The InChIKey is VVEWQTNXFFJUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O2/c1-7-8-14-27(16-21-10-9-13-26(21)6)23(29)17-28(18(2)3)24(30)25-22-12-11-19(4)15-20(22)5/h9-13,15,18H,7-8,14,16-17H2,1-6H3,(H,25,30).
What are the key properties of N-butyl-2-[(2,4-dimethylphenyl)carbamoyl-propan-2-ylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
N-butyl-2-[(2,4-dimethylphenyl)carbamoyl-propan-2-ylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide has a molecular weight of 412.58 g/mol, XLogP of 4.71, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[(2,4-dimethylphenyl)carbamoyl-propan-2-ylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide is sourced from PubChem (CID 4558488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).