N-cyclopropyl-2-[(2-ethylphenyl)carbamoyl-propan-2-ylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide

C23H32N4O2 — CID 1057271

IUPACN-cyclopropyl-2-[(2-ethylphenyl)carbamoyl-propan-2-ylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
SMILESCCc1ccccc1NC(=O)N(CC(=O)N(Cc1cccn1C)C1CC1)C(C)C
InChIInChI=1S/C23H32N4O2/c1-5-18-9-6-7-11-21(18)24-23(29)26(17(2)3)16-22(28)27(19-12-13-19)15-20-10-8-14-25(20)4/h6-11,14,17,19H,5,12-13,15-16H2,1-4H3,(H,24,29)
InChIKeyRQJSVMRYZWBIJM-UHFFFAOYSA-N
MW396.54 g/mol
LogP4.02
Rot. Bonds8

About N-cyclopropyl-2-[(2-ethylphenyl)carbamoyl-propan-2-ylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide

N-cyclopropyl-2-[(2-ethylphenyl)carbamoyl-propan-2-ylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide (PubChem CID 1057271) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is N-cyclopropyl-2-[(2-ethylphenyl)carbamoyl-propan-2-ylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(2-ethylphenyl)carbamoyl-propan-2-ylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
PubChem CID1057271
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC NameN-cyclopropyl-2-[(2-ethylphenyl)carbamoyl-propan-2-ylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
SMILESCCc1ccccc1NC(=O)N(CC(=O)N(Cc1cccn1C)C1CC1)C(C)C
InChIInChI=1S/C23H32N4O2/c1-5-18-9-6-7-11-21(18)24-23(29)26(17(2)3)16-22(28)27(19-12-13-19)15-20-10-8-14-25(20)4/h6-11,14,17,19H,5,12-13,15-16H2,1-4H3,(H,24,29)
InChIKeyRQJSVMRYZWBIJM-UHFFFAOYSA-N
XLogP4.02
TPSA57.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2S)-butan-2-yl]-[(2-ethylphenyl)carbamoyl]amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 7256763
N-cyclopropyl-2-[cyclopropyl-[(2-ethylphenyl)carbamoyl]amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3959665
N-cyclopropyl-2-[(2-fluorophenyl)carbamoyl-propan-2-ylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 1057244
2-[(2-ethylphenyl)carbamoyl-propan-2-ylamino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3992333
2-[butan-2-yl-[(2-fluorophenyl)carbamoyl]amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 4580447
2-[(4-chlorophenyl)carbamoyl-propan-2-ylamino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 1057237
N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2-methyl-N-propan-2-ylpropanamide
CID 42767843
2-[butan-2-yl(phenylcarbamoyl)amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 4027827
ethyl 4-[[[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-propan-2-ylcarbamoyl]amino]benzoate
CID 3373529
N-butan-2-yl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2-methylpropanamide
CID 42767799
2-[(3-chloro-4-fluorophenyl)carbamoyl-propan-2-ylamino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 1057269
N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-4-fluoro-N-propan-2-ylbenzamide
CID 1057094

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(2-ethylphenyl)carbamoyl-propan-2-ylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
The IUPAC name of N-cyclopropyl-2-[(2-ethylphenyl)carbamoyl-propan-2-ylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide (CID 1057271) is N-cyclopropyl-2-[(2-ethylphenyl)carbamoyl-propan-2-ylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[(2-ethylphenyl)carbamoyl-propan-2-ylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[(2-ethylphenyl)carbamoyl-propan-2-ylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide is CCc1ccccc1NC(=O)N(CC(=O)N(Cc1cccn1C)C1CC1)C(C)C.
What is the InChIKey of N-cyclopropyl-2-[(2-ethylphenyl)carbamoyl-propan-2-ylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
The InChIKey is RQJSVMRYZWBIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O2/c1-5-18-9-6-7-11-21(18)24-23(29)26(17(2)3)16-22(28)27(19-12-13-19)15-20-10-8-14-25(20)4/h6-11,14,17,19H,5,12-13,15-16H2,1-4H3,(H,24,29).
What are the key properties of N-cyclopropyl-2-[(2-ethylphenyl)carbamoyl-propan-2-ylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
N-cyclopropyl-2-[(2-ethylphenyl)carbamoyl-propan-2-ylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide has a molecular weight of 396.54 g/mol, XLogP of 4.02, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(2-ethylphenyl)carbamoyl-propan-2-ylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide is sourced from PubChem (CID 1057271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).