2-[(2-chloroacetyl)amino]-N,4-dimethylpentanamide

C9H17ClN2O2 — CID 43695584

IUPAC2-[(2-chloroacetyl)amino]-N,4-dimethylpentanamide
SMILESCNC(=O)C(CC(C)C)NC(=O)CCl
InChIInChI=1S/C9H17ClN2O2/c1-6(2)4-7(9(14)11-3)12-8(13)5-10/h6-7H,4-5H2,1-3H3,(H,11,14)(H,12,13)
InChIKeyCUMAGAWNLQRWSV-UHFFFAOYSA-N
MW220.70 g/mol
LogP0.50
Rot. Bonds5

About 2-[(2-chloroacetyl)amino]-N,4-dimethylpentanamide

2-[(2-chloroacetyl)amino]-N,4-dimethylpentanamide (PubChem CID 43695584) has the molecular formula C9H17ClN2O2 and a molecular weight of 220.70 g/mol. Its IUPAC name is 2-[(2-chloroacetyl)amino]-N,4-dimethylpentanamide.

Molecular Properties

Compound Name2-[(2-chloroacetyl)amino]-N,4-dimethylpentanamide
PubChem CID43695584
Molecular FormulaC9H17ClN2O2
Molecular Weight220.70 g/mol
Exact Mass220.10
IUPAC Name2-[(2-chloroacetyl)amino]-N,4-dimethylpentanamide
SMILESCNC(=O)C(CC(C)C)NC(=O)CCl
InChIInChI=1S/C9H17ClN2O2/c1-6(2)4-7(9(14)11-3)12-8(13)5-10/h6-7H,4-5H2,1-3H3,(H,11,14)(H,12,13)
InChIKeyCUMAGAWNLQRWSV-UHFFFAOYSA-N
XLogP0.50
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.70
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[(2-chloroacetyl)amino]-4-methylpentanoic acid
CID 2795110
[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamic acid
CID 174999957
methyl (2S)-2-[(2-chloroacetyl)amino]-4-methylpentanoate
CID 14260838
N,4-dimethyl-2-(methylamino)pentanamide
CID 72516454
2-[[2-[(3-hydroxy-2,2-dimethylpropyl)amino]acetyl]amino]-N,4-dimethylpentanamide
CID 142030552
N,4-dimethyl-2-[[2-(prop-2-ynylamino)acetyl]amino]pentanamide
CID 79287630
2-(5-aminohexanoylamino)-N,4-dimethylpentanamide
CID 82848725
N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]cyclopropanecarboxamide
CID 60776170
2-[(4-amino-2-methylbutanoyl)amino]-N,4-dimethylpentanamide
CID 80542489
(2S)-N,4-dimethyl-2-(4-phenylbutanoylamino)pentanamide
CID 71457400
2-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]-N,4-dimethylpentanamide
CID 81179363
(2S,3R)-2-hydroxy-5-methyl-3-[[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]hexanoic acid
CID 10805367

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloroacetyl)amino]-N,4-dimethylpentanamide?
The IUPAC name of 2-[(2-chloroacetyl)amino]-N,4-dimethylpentanamide (CID 43695584) is 2-[(2-chloroacetyl)amino]-N,4-dimethylpentanamide.
What is the SMILES notation for 2-[(2-chloroacetyl)amino]-N,4-dimethylpentanamide?
The canonical SMILES for 2-[(2-chloroacetyl)amino]-N,4-dimethylpentanamide is CNC(=O)C(CC(C)C)NC(=O)CCl.
What is the InChIKey of 2-[(2-chloroacetyl)amino]-N,4-dimethylpentanamide?
The InChIKey is CUMAGAWNLQRWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17ClN2O2/c1-6(2)4-7(9(14)11-3)12-8(13)5-10/h6-7H,4-5H2,1-3H3,(H,11,14)(H,12,13).
What are the key properties of 2-[(2-chloroacetyl)amino]-N,4-dimethylpentanamide?
2-[(2-chloroacetyl)amino]-N,4-dimethylpentanamide has a molecular weight of 220.70 g/mol, XLogP of 0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloroacetyl)amino]-N,4-dimethylpentanamide is sourced from PubChem (CID 43695584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).