2-(carbamoylamino)-N-[(3-chlorophenyl)methyl]-3-methylpentanamide

C14H20ClN3O2 — CID 3957835

IUPAC2-(carbamoylamino)-N-[(3-chlorophenyl)methyl]-3-methylpentanamide
SMILESCCC(C)C(NC(N)=O)C(=O)NCc1cccc(Cl)c1
InChIInChI=1S/C14H20ClN3O2/c1-3-9(2)12(18-14(16)20)13(19)17-8-10-5-4-6-11(15)7-10/h4-7,9,12H,3,8H2,1-2H3,(H,17,19)(H3,16,18,20)
InChIKeyXFROCKHMAVTFJL-UHFFFAOYSA-N
MW297.79 g/mol
LogP2.04
Rot. Bonds6

About 2-(carbamoylamino)-N-[(3-chlorophenyl)methyl]-3-methylpentanamide

2-(carbamoylamino)-N-[(3-chlorophenyl)methyl]-3-methylpentanamide (PubChem CID 3957835) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is 2-(carbamoylamino)-N-[(3-chlorophenyl)methyl]-3-methylpentanamide.

Molecular Properties

Compound Name2-(carbamoylamino)-N-[(3-chlorophenyl)methyl]-3-methylpentanamide
PubChem CID3957835
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name2-(carbamoylamino)-N-[(3-chlorophenyl)methyl]-3-methylpentanamide
SMILESCCC(C)C(NC(N)=O)C(=O)NCc1cccc(Cl)c1
InChIInChI=1S/C14H20ClN3O2/c1-3-9(2)12(18-14(16)20)13(19)17-8-10-5-4-6-11(15)7-10/h4-7,9,12H,3,8H2,1-2H3,(H,17,19)(H3,16,18,20)
InChIKeyXFROCKHMAVTFJL-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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Related Compounds

2-amino-N-[(3-chlorophenyl)methyl]-3-methylpentanamide
CID 43515242
(2S,3R)-2-(carbamoylamino)-N-[(3,4-dimethoxyphenyl)methyl]-3-methylpentanamide
CID 2126900
(2S,3R)-2-(carbamoylamino)-3-methyl-N-[(4-methylphenyl)methyl]pentanamide
CID 2671676
N-[(3-chlorophenyl)methyl]-2-ethylbutanamide
CID 17071149
(2S)-2-[[2-(3-chlorophenyl)acetyl]amino]-3-methylpentanoic acid
CID 62504934
[(2S,3S)-1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]urea
CID 9183309
N-[(3-chlorophenyl)methyl]-3,3-dimethyl-2-propan-2-ylbutanamide
CID 58124287
(2R)-2-(carbamoylamino)-N-[(3-chlorophenyl)methyl]-4-methylsulfanylbutanamide
CID 2400618
2-(carbamoylamino)-N-[(2-fluorophenyl)methyl]-3-methylpentanamide
CID 18159420
(2S,3R)-2-(carbamoylamino)-3-methyl-N-(3-phenylpropyl)pentanamide
CID 2562392
4-amino-N-[(3-chlorophenyl)methyl]-2-methylbutanamide
CID 80542146
N-[(3-chlorophenyl)methyl]propanamide
CID 17071125

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-N-[(3-chlorophenyl)methyl]-3-methylpentanamide?
The IUPAC name of 2-(carbamoylamino)-N-[(3-chlorophenyl)methyl]-3-methylpentanamide (CID 3957835) is 2-(carbamoylamino)-N-[(3-chlorophenyl)methyl]-3-methylpentanamide.
What is the SMILES notation for 2-(carbamoylamino)-N-[(3-chlorophenyl)methyl]-3-methylpentanamide?
The canonical SMILES for 2-(carbamoylamino)-N-[(3-chlorophenyl)methyl]-3-methylpentanamide is CCC(C)C(NC(N)=O)C(=O)NCc1cccc(Cl)c1.
What is the InChIKey of 2-(carbamoylamino)-N-[(3-chlorophenyl)methyl]-3-methylpentanamide?
The InChIKey is XFROCKHMAVTFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2/c1-3-9(2)12(18-14(16)20)13(19)17-8-10-5-4-6-11(15)7-10/h4-7,9,12H,3,8H2,1-2H3,(H,17,19)(H3,16,18,20).
What are the key properties of 2-(carbamoylamino)-N-[(3-chlorophenyl)methyl]-3-methylpentanamide?
2-(carbamoylamino)-N-[(3-chlorophenyl)methyl]-3-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-[(3-chlorophenyl)methyl]-3-methylpentanamide is sourced from PubChem (CID 3957835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).