2-(carbamoylamino)-N-[(4-chlorophenyl)methyl]-4-methylpentanamide

C14H20ClN3O2 — CID 5228616

IUPAC2-(carbamoylamino)-N-[(4-chlorophenyl)methyl]-4-methylpentanamide
SMILESCC(C)CC(NC(N)=O)C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C14H20ClN3O2/c1-9(2)7-12(18-14(16)20)13(19)17-8-10-3-5-11(15)6-4-10/h3-6,9,12H,7-8H2,1-2H3,(H,17,19)(H3,16,18,20)
InChIKeyNBHYAEYVUCHGII-UHFFFAOYSA-N
MW297.79 g/mol
LogP2.04
Rot. Bonds6

About 2-(carbamoylamino)-N-[(4-chlorophenyl)methyl]-4-methylpentanamide

2-(carbamoylamino)-N-[(4-chlorophenyl)methyl]-4-methylpentanamide (PubChem CID 5228616) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is 2-(carbamoylamino)-N-[(4-chlorophenyl)methyl]-4-methylpentanamide.

Molecular Properties

Compound Name2-(carbamoylamino)-N-[(4-chlorophenyl)methyl]-4-methylpentanamide
PubChem CID5228616
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name2-(carbamoylamino)-N-[(4-chlorophenyl)methyl]-4-methylpentanamide
SMILESCC(C)CC(NC(N)=O)C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C14H20ClN3O2/c1-9(2)7-12(18-14(16)20)13(19)17-8-10-3-5-11(15)6-4-10/h3-6,9,12H,7-8H2,1-2H3,(H,17,19)(H3,16,18,20)
InChIKeyNBHYAEYVUCHGII-UHFFFAOYSA-N
XLogP2.04
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-N-[(4-chlorophenyl)methyl]-4-methylpentanamide?
The IUPAC name of 2-(carbamoylamino)-N-[(4-chlorophenyl)methyl]-4-methylpentanamide (CID 5228616) is 2-(carbamoylamino)-N-[(4-chlorophenyl)methyl]-4-methylpentanamide.
What is the SMILES notation for 2-(carbamoylamino)-N-[(4-chlorophenyl)methyl]-4-methylpentanamide?
The canonical SMILES for 2-(carbamoylamino)-N-[(4-chlorophenyl)methyl]-4-methylpentanamide is CC(C)CC(NC(N)=O)C(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of 2-(carbamoylamino)-N-[(4-chlorophenyl)methyl]-4-methylpentanamide?
The InChIKey is NBHYAEYVUCHGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2/c1-9(2)7-12(18-14(16)20)13(19)17-8-10-3-5-11(15)6-4-10/h3-6,9,12H,7-8H2,1-2H3,(H,17,19)(H3,16,18,20).
What are the key properties of 2-(carbamoylamino)-N-[(4-chlorophenyl)methyl]-4-methylpentanamide?
2-(carbamoylamino)-N-[(4-chlorophenyl)methyl]-4-methylpentanamide has a molecular weight of 297.79 g/mol, XLogP of 2.04, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-N-[(4-chlorophenyl)methyl]-4-methylpentanamide is sourced from PubChem (CID 5228616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).