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

C23H30N4O2 — CID 3959665

IUPACN-cyclopropyl-2-[cyclopropyl-[(2-ethylphenyl)carbamoyl]amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
SMILESCCc1ccccc1NC(=O)N(CC(=O)N(Cc1cccn1C)C1CC1)C1CC1
InChIInChI=1S/C23H30N4O2/c1-3-17-7-4-5-9-21(17)24-23(29)27(19-12-13-19)16-22(28)26(18-10-11-18)15-20-8-6-14-25(20)2/h4-9,14,18-19H,3,10-13,15-16H2,1-2H3,(H,24,29)
InChIKeyMPINPNDNYMCDQX-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.78
Rot. Bonds8

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

N-cyclopropyl-2-[cyclopropyl-[(2-ethylphenyl)carbamoyl]amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide (PubChem CID 3959665) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-cyclopropyl-2-[cyclopropyl-[(2-ethylphenyl)carbamoyl]amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[cyclopropyl-[(2-ethylphenyl)carbamoyl]amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
PubChem CID3959665
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC NameN-cyclopropyl-2-[cyclopropyl-[(2-ethylphenyl)carbamoyl]amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
SMILESCCc1ccccc1NC(=O)N(CC(=O)N(Cc1cccn1C)C1CC1)C1CC1
InChIInChI=1S/C23H30N4O2/c1-3-17-7-4-5-9-21(17)24-23(29)27(19-12-13-19)16-22(28)26(18-10-11-18)15-20-8-6-14-25(20)2/h4-9,14,18-19H,3,10-13,15-16H2,1-2H3,(H,24,29)
InChIKeyMPINPNDNYMCDQX-UHFFFAOYSA-N
XLogP3.78
TPSA57.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 1057271
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CID 7256763
N-cyclopropyl-2-[(2-methylphenyl)carbamoyl-propylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
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2-[butan-2-yl-[(2-fluorophenyl)carbamoyl]amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 4580447
N-cyclopropyl-2-[(2-fluorophenyl)carbamoyl-propan-2-ylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 1057244
2-[cyclopropyl-[(2-methylphenyl)carbamoyl]amino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3603833
N-cyclopropyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]cyclopropanecarboxamide
CID 811191
2-[cyclohexyl-[(2,4-dimethoxyphenyl)carbamoyl]amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 1057219
2-[butyl(naphthalen-1-ylcarbamoyl)amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3880638
2-[(3-chloro-4-methylphenyl)carbamoyl-cyclopropylamino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 1200654
2-[cyclohexyl-[(3-methylphenyl)carbamoyl]amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 1057206
N-cyclopropyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-4-ethylbenzamide
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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[cyclopropyl-[(2-ethylphenyl)carbamoyl]amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
The IUPAC name of N-cyclopropyl-2-[cyclopropyl-[(2-ethylphenyl)carbamoyl]amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide (CID 3959665) is N-cyclopropyl-2-[cyclopropyl-[(2-ethylphenyl)carbamoyl]amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[cyclopropyl-[(2-ethylphenyl)carbamoyl]amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[cyclopropyl-[(2-ethylphenyl)carbamoyl]amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide is CCc1ccccc1NC(=O)N(CC(=O)N(Cc1cccn1C)C1CC1)C1CC1.
What is the InChIKey of N-cyclopropyl-2-[cyclopropyl-[(2-ethylphenyl)carbamoyl]amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
The InChIKey is MPINPNDNYMCDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-3-17-7-4-5-9-21(17)24-23(29)27(19-12-13-19)16-22(28)26(18-10-11-18)15-20-8-6-14-25(20)2/h4-9,14,18-19H,3,10-13,15-16H2,1-2H3,(H,24,29).
What are the key properties of N-cyclopropyl-2-[cyclopropyl-[(2-ethylphenyl)carbamoyl]amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
N-cyclopropyl-2-[cyclopropyl-[(2-ethylphenyl)carbamoyl]amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide has a molecular weight of 394.52 g/mol, XLogP of 3.78, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[cyclopropyl-[(2-ethylphenyl)carbamoyl]amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide is sourced from PubChem (CID 3959665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).