3-methyl-2-[(2-pyrrolidin-1-ylphenyl)carbamoylamino]butanamide

C16H24N4O2 — CID 75401430

IUPAC3-methyl-2-[(2-pyrrolidin-1-ylphenyl)carbamoylamino]butanamide
SMILESCC(C)C(NC(=O)Nc1ccccc1N1CCCC1)C(N)=O
InChIInChI=1S/C16H24N4O2/c1-11(2)14(15(17)21)19-16(22)18-12-7-3-4-8-13(12)20-9-5-6-10-20/h3-4,7-8,11,14H,5-6,9-10H2,1-2H3,(H2,17,21)(H2,18,19,22)
InChIKeyQSONDFKAAINSCN-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.92
Rot. Bonds5

About 3-methyl-2-[(2-pyrrolidin-1-ylphenyl)carbamoylamino]butanamide

3-methyl-2-[(2-pyrrolidin-1-ylphenyl)carbamoylamino]butanamide (PubChem CID 75401430) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 3-methyl-2-[(2-pyrrolidin-1-ylphenyl)carbamoylamino]butanamide.

Molecular Properties

Compound Name3-methyl-2-[(2-pyrrolidin-1-ylphenyl)carbamoylamino]butanamide
PubChem CID75401430
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name3-methyl-2-[(2-pyrrolidin-1-ylphenyl)carbamoylamino]butanamide
SMILESCC(C)C(NC(=O)Nc1ccccc1N1CCCC1)C(N)=O
InChIInChI=1S/C16H24N4O2/c1-11(2)14(15(17)21)19-16(22)18-12-7-3-4-8-13(12)20-9-5-6-10-20/h3-4,7-8,11,14H,5-6,9-10H2,1-2H3,(H2,17,21)(H2,18,19,22)
InChIKeyQSONDFKAAINSCN-UHFFFAOYSA-N
XLogP1.92
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(2-pyrrolidin-1-ylphenyl)propanamide;hydrochloride
CID 119164504
2-methoxy-N-(2-piperidin-1-ylphenyl)propanamide
CID 47300267
N-(2-piperidin-1-ylphenyl)propanamide
CID 960826
1-(2-methylphenyl)-3-(2-piperidin-1-ylphenyl)urea
CID 2814230
1-(3-hydroxy-4-methylpentyl)-3-(2-pyrrolidin-1-ylphenyl)urea
CID 111473354
2-methyl-3-(methylamino)-N-(2-pyrrolidin-1-ylphenyl)propanamide
CID 79195677
2-methyl-N-(2-pyrrolidin-1-ylphenyl)pentanamide
CID 78792531
5-amino-4-methyl-N-(2-piperidin-1-ylphenyl)pentanamide
CID 82014227
2,2-difluoro-N-(2-piperidin-1-ylphenyl)acetamide
CID 103600704
1-propyl-3-(2-pyrrolidin-1-ylphenyl)urea
CID 47107994
(2S)-2-amino-N-(2-pyrrolidin-1-ylphenyl)pentanamide
CID 107568445
2-(4-methoxyphenoxy)-N-(2-pyrrolidin-1-ylphenyl)propanamide
CID 51327229

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(2-pyrrolidin-1-ylphenyl)carbamoylamino]butanamide?
The IUPAC name of 3-methyl-2-[(2-pyrrolidin-1-ylphenyl)carbamoylamino]butanamide (CID 75401430) is 3-methyl-2-[(2-pyrrolidin-1-ylphenyl)carbamoylamino]butanamide.
What is the SMILES notation for 3-methyl-2-[(2-pyrrolidin-1-ylphenyl)carbamoylamino]butanamide?
The canonical SMILES for 3-methyl-2-[(2-pyrrolidin-1-ylphenyl)carbamoylamino]butanamide is CC(C)C(NC(=O)Nc1ccccc1N1CCCC1)C(N)=O.
What is the InChIKey of 3-methyl-2-[(2-pyrrolidin-1-ylphenyl)carbamoylamino]butanamide?
The InChIKey is QSONDFKAAINSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-11(2)14(15(17)21)19-16(22)18-12-7-3-4-8-13(12)20-9-5-6-10-20/h3-4,7-8,11,14H,5-6,9-10H2,1-2H3,(H2,17,21)(H2,18,19,22).
What are the key properties of 3-methyl-2-[(2-pyrrolidin-1-ylphenyl)carbamoylamino]butanamide?
3-methyl-2-[(2-pyrrolidin-1-ylphenyl)carbamoylamino]butanamide has a molecular weight of 304.39 g/mol, XLogP of 1.92, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(2-pyrrolidin-1-ylphenyl)carbamoylamino]butanamide is sourced from PubChem (CID 75401430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).