3-chloro-N-(1-hydroxy-4-methylpentan-3-yl)propanamide

C9H18ClNO2 — CID 106349277

IUPAC3-chloro-N-(1-hydroxy-4-methylpentan-3-yl)propanamide
SMILESCC(C)C(CCO)NC(=O)CCCl
InChIInChI=1S/C9H18ClNO2/c1-7(2)8(4-6-12)11-9(13)3-5-10/h7-8,12H,3-6H2,1-2H3,(H,11,13)
InChIKeyMENFGQNYSFPCGP-UHFFFAOYSA-N
MW207.70 g/mol
LogP1.14
Rot. Bonds6

About 3-chloro-N-(1-hydroxy-4-methylpentan-3-yl)propanamide

3-chloro-N-(1-hydroxy-4-methylpentan-3-yl)propanamide (PubChem CID 106349277) has the molecular formula C9H18ClNO2 and a molecular weight of 207.70 g/mol. Its IUPAC name is 3-chloro-N-(1-hydroxy-4-methylpentan-3-yl)propanamide.

Molecular Properties

Compound Name3-chloro-N-(1-hydroxy-4-methylpentan-3-yl)propanamide
PubChem CID106349277
Molecular FormulaC9H18ClNO2
Molecular Weight207.70 g/mol
Exact Mass207.10
IUPAC Name3-chloro-N-(1-hydroxy-4-methylpentan-3-yl)propanamide
SMILESCC(C)C(CCO)NC(=O)CCCl
InChIInChI=1S/C9H18ClNO2/c1-7(2)8(4-6-12)11-9(13)3-5-10/h7-8,12H,3-6H2,1-2H3,(H,11,13)
InChIKeyMENFGQNYSFPCGP-UHFFFAOYSA-N
XLogP1.14
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.70
LogP ≤ 51.14
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

2-chloro-N-(1-hydroxy-4-methylpentan-3-yl)acetamide
CID 103881700
N-(1-hydroxy-4-methylpentan-3-yl)-3-methylsulfonylpropanamide
CID 103852371
N-(1-hydroxy-4-methylpentan-3-yl)-2-sulfanylacetamide
CID 106357968
4-amino-N-(1-hydroxy-4-methylpentan-3-yl)-4-methylpentanamide
CID 103810722
N-(1-hydroxy-4-methylpentan-3-yl)-2-(methylamino)acetamide
CID 103810718
6-amino-4-ethyl-N-(1-hydroxy-4-methylpentan-3-yl)hexanamide
CID 114176914
3-(2-amino-2-oxoethyl)sulfanyl-N-(1-hydroxy-4-methylpentan-3-yl)propanamide
CID 103782450
N-[4-[(1-hydroxy-4-methylpentan-3-yl)amino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 103750764
4-amino-N-(1-hydroxy-4-methylpentan-3-yl)-4-phenylbutanamide
CID 103810708
5-chloro-N-(4-hydroxybutan-2-yl)pentanamide
CID 83177024
2-[2-[(1-hydroxy-4-methylpentan-3-yl)amino]-2-oxoethoxy]acetic acid
CID 106348504
3-(furan-2-yl)-N-(1-hydroxy-4-methylpentan-3-yl)propanamide
CID 103750763

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1-hydroxy-4-methylpentan-3-yl)propanamide?
The IUPAC name of 3-chloro-N-(1-hydroxy-4-methylpentan-3-yl)propanamide (CID 106349277) is 3-chloro-N-(1-hydroxy-4-methylpentan-3-yl)propanamide.
What is the SMILES notation for 3-chloro-N-(1-hydroxy-4-methylpentan-3-yl)propanamide?
The canonical SMILES for 3-chloro-N-(1-hydroxy-4-methylpentan-3-yl)propanamide is CC(C)C(CCO)NC(=O)CCCl.
What is the InChIKey of 3-chloro-N-(1-hydroxy-4-methylpentan-3-yl)propanamide?
The InChIKey is MENFGQNYSFPCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNO2/c1-7(2)8(4-6-12)11-9(13)3-5-10/h7-8,12H,3-6H2,1-2H3,(H,11,13).
What are the key properties of 3-chloro-N-(1-hydroxy-4-methylpentan-3-yl)propanamide?
3-chloro-N-(1-hydroxy-4-methylpentan-3-yl)propanamide has a molecular weight of 207.70 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1-hydroxy-4-methylpentan-3-yl)propanamide is sourced from PubChem (CID 106349277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).