3-[[benzyl(methyl)carbamoyl]amino]-N-pentan-2-yl-N-pentylpropanamide

C22H37N3O2 — CID 56580231

IUPAC3-[[benzyl(methyl)carbamoyl]amino]-N-pentan-2-yl-N-pentylpropanamide
SMILESCCCCCN(C(=O)CCNC(=O)N(C)Cc1ccccc1)C(C)CCC
InChIInChI=1S/C22H37N3O2/c1-5-7-11-17-25(19(3)12-6-2)21(26)15-16-23-22(27)24(4)18-20-13-9-8-10-14-20/h8-10,13-14,19H,5-7,11-12,15-18H2,1-4H3,(H,23,27)
InChIKeyZPVXYBJVCWITFM-UHFFFAOYSA-N
MW375.56 g/mol
LogP4.43
Rot. Bonds12

About 3-[[benzyl(methyl)carbamoyl]amino]-N-pentan-2-yl-N-pentylpropanamide

3-[[benzyl(methyl)carbamoyl]amino]-N-pentan-2-yl-N-pentylpropanamide (PubChem CID 56580231) has the molecular formula C22H37N3O2 and a molecular weight of 375.56 g/mol. Its IUPAC name is 3-[[benzyl(methyl)carbamoyl]amino]-N-pentan-2-yl-N-pentylpropanamide.

Molecular Properties

Compound Name3-[[benzyl(methyl)carbamoyl]amino]-N-pentan-2-yl-N-pentylpropanamide
PubChem CID56580231
Molecular FormulaC22H37N3O2
Molecular Weight375.56 g/mol
Exact Mass375.29
IUPAC Name3-[[benzyl(methyl)carbamoyl]amino]-N-pentan-2-yl-N-pentylpropanamide
SMILESCCCCCN(C(=O)CCNC(=O)N(C)Cc1ccccc1)C(C)CCC
InChIInChI=1S/C22H37N3O2/c1-5-7-11-17-25(19(3)12-6-2)21(26)15-16-23-22(27)24(4)18-20-13-9-8-10-14-20/h8-10,13-14,19H,5-7,11-12,15-18H2,1-4H3,(H,23,27)
InChIKeyZPVXYBJVCWITFM-UHFFFAOYSA-N
XLogP4.43
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.56
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[3-[[benzyl(methyl)carbamoyl]amino]propanoyl-propylamino]acetic acid
CID 119205547
3-[[benzyl(methyl)carbamoyl]amino]-N-[(3,4-dichlorophenyl)methyl]-N-propan-2-ylpropanamide
CID 56580420
4-[[benzyl(methyl)carbamoyl]amino]butanoic acid
CID 28511357
N-benzyl-N-butan-2-ylpentanamide
CID 78842113
(2S)-4-[[benzyl(methyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 104934154
N-benzyl-3-(butylamino)-N-methylpropanamide
CID 109012383
2-[benzyl(butanoyl)amino]-N-butylbutanamide
CID 132699427
N-benzyl-N-butan-2-ylbutanamide
CID 60717440
2-[benzyl(3-phenylpropanoyl)amino]-N-butylpropanamide
CID 132701689
N-benzyl-N-methylpentanamide
CID 4629611
5-[[benzyl(methyl)carbamoyl]amino]-4-methylpentanoic acid
CID 82687731
3-[acetyl(butyl)amino]-N-benzyl-N-propan-2-ylpropanamide
CID 113115788

Frequently Asked Questions

What is the IUPAC name of 3-[[benzyl(methyl)carbamoyl]amino]-N-pentan-2-yl-N-pentylpropanamide?
The IUPAC name of 3-[[benzyl(methyl)carbamoyl]amino]-N-pentan-2-yl-N-pentylpropanamide (CID 56580231) is 3-[[benzyl(methyl)carbamoyl]amino]-N-pentan-2-yl-N-pentylpropanamide.
What is the SMILES notation for 3-[[benzyl(methyl)carbamoyl]amino]-N-pentan-2-yl-N-pentylpropanamide?
The canonical SMILES for 3-[[benzyl(methyl)carbamoyl]amino]-N-pentan-2-yl-N-pentylpropanamide is CCCCCN(C(=O)CCNC(=O)N(C)Cc1ccccc1)C(C)CCC.
What is the InChIKey of 3-[[benzyl(methyl)carbamoyl]amino]-N-pentan-2-yl-N-pentylpropanamide?
The InChIKey is ZPVXYBJVCWITFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N3O2/c1-5-7-11-17-25(19(3)12-6-2)21(26)15-16-23-22(27)24(4)18-20-13-9-8-10-14-20/h8-10,13-14,19H,5-7,11-12,15-18H2,1-4H3,(H,23,27).
What are the key properties of 3-[[benzyl(methyl)carbamoyl]amino]-N-pentan-2-yl-N-pentylpropanamide?
3-[[benzyl(methyl)carbamoyl]amino]-N-pentan-2-yl-N-pentylpropanamide has a molecular weight of 375.56 g/mol, XLogP of 4.43, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[benzyl(methyl)carbamoyl]amino]-N-pentan-2-yl-N-pentylpropanamide is sourced from PubChem (CID 56580231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).