2-acetamido-N-(benzylcarbamoyl)-4-methylpentanamide

C16H23N3O3 — CID 3863297

IUPAC2-acetamido-N-(benzylcarbamoyl)-4-methylpentanamide
SMILESCC(=O)NC(CC(C)C)C(=O)NC(=O)NCc1ccccc1
InChIInChI=1S/C16H23N3O3/c1-11(2)9-14(18-12(3)20)15(21)19-16(22)17-10-13-7-5-4-6-8-13/h4-8,11,14H,9-10H2,1-3H3,(H,18,20)(H2,17,19,21,22)
InChIKeyILEHGQYBFBIDGK-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.56
Rot. Bonds6

About 2-acetamido-N-(benzylcarbamoyl)-4-methylpentanamide

2-acetamido-N-(benzylcarbamoyl)-4-methylpentanamide (PubChem CID 3863297) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-acetamido-N-(benzylcarbamoyl)-4-methylpentanamide.

Molecular Properties

Compound Name2-acetamido-N-(benzylcarbamoyl)-4-methylpentanamide
PubChem CID3863297
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name2-acetamido-N-(benzylcarbamoyl)-4-methylpentanamide
SMILESCC(=O)NC(CC(C)C)C(=O)NC(=O)NCc1ccccc1
InChIInChI=1S/C16H23N3O3/c1-11(2)9-14(18-12(3)20)15(21)19-16(22)17-10-13-7-5-4-6-8-13/h4-8,11,14H,9-10H2,1-3H3,(H,18,20)(H2,17,19,21,22)
InChIKeyILEHGQYBFBIDGK-UHFFFAOYSA-N
XLogP1.56
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(benzylcarbamoyl)-4-methylpentanamide?
The IUPAC name of 2-acetamido-N-(benzylcarbamoyl)-4-methylpentanamide (CID 3863297) is 2-acetamido-N-(benzylcarbamoyl)-4-methylpentanamide.
What is the SMILES notation for 2-acetamido-N-(benzylcarbamoyl)-4-methylpentanamide?
The canonical SMILES for 2-acetamido-N-(benzylcarbamoyl)-4-methylpentanamide is CC(=O)NC(CC(C)C)C(=O)NC(=O)NCc1ccccc1.
What is the InChIKey of 2-acetamido-N-(benzylcarbamoyl)-4-methylpentanamide?
The InChIKey is ILEHGQYBFBIDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-11(2)9-14(18-12(3)20)15(21)19-16(22)17-10-13-7-5-4-6-8-13/h4-8,11,14H,9-10H2,1-3H3,(H,18,20)(H2,17,19,21,22).
What are the key properties of 2-acetamido-N-(benzylcarbamoyl)-4-methylpentanamide?
2-acetamido-N-(benzylcarbamoyl)-4-methylpentanamide has a molecular weight of 305.38 g/mol, XLogP of 1.56, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(benzylcarbamoyl)-4-methylpentanamide is sourced from PubChem (CID 3863297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).