3-chloro-N-(1-hydroxy-3-methoxypropan-2-yl)propanamide

C7H14ClNO3 — CID 106186140

IUPAC3-chloro-N-(1-hydroxy-3-methoxypropan-2-yl)propanamide
SMILESCOCC(CO)NC(=O)CCCl
InChIInChI=1S/C7H14ClNO3/c1-12-5-6(4-10)9-7(11)2-3-8/h6,10H,2-5H2,1H3,(H,9,11)
InChIKeyOEWDLRVQVBRCQS-UHFFFAOYSA-N
MW195.65 g/mol
LogP-0.26
Rot. Bonds6

About 3-chloro-N-(1-hydroxy-3-methoxypropan-2-yl)propanamide

3-chloro-N-(1-hydroxy-3-methoxypropan-2-yl)propanamide (PubChem CID 106186140) has the molecular formula C7H14ClNO3 and a molecular weight of 195.65 g/mol. Its IUPAC name is 3-chloro-N-(1-hydroxy-3-methoxypropan-2-yl)propanamide.

Molecular Properties

Compound Name3-chloro-N-(1-hydroxy-3-methoxypropan-2-yl)propanamide
PubChem CID106186140
Molecular FormulaC7H14ClNO3
Molecular Weight195.65 g/mol
Exact Mass195.07
IUPAC Name3-chloro-N-(1-hydroxy-3-methoxypropan-2-yl)propanamide
SMILESCOCC(CO)NC(=O)CCCl
InChIInChI=1S/C7H14ClNO3/c1-12-5-6(4-10)9-7(11)2-3-8/h6,10H,2-5H2,1H3,(H,9,11)
InChIKeyOEWDLRVQVBRCQS-UHFFFAOYSA-N
XLogP-0.26
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.65
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-chloro-3-methoxypropan-2-yl)-4-methylpentanamide
CID 106183361
N-[(2R)-1-hydroxybutan-2-yl]-3-methoxypropanamide
CID 103920011
3-chloro-N-pentan-3-ylpropanamide
CID 16783824
4-(2-aminoethyl)-N-(1-hydroxy-3-methoxypropan-2-yl)-5,5-dimethylhexanamide
CID 106188734
N-[(2S)-1-hydroxybutan-2-yl]-4-methoxybutanamide
CID 104981240
5-chloro-N-(1,3-dihydroxypropan-2-yl)pentanamide
CID 65312302
4-[(4-hydroxy-1-methoxybutan-2-yl)amino]-4-oxobutanoic acid
CID 106155382
[2-(3-aminopropanoylamino)-3-hydroxypropyl] methyl hydrogen phosphite
CID 144658045
N-(1-methoxybutan-2-yl)propanamide
CID 64590697
(2R)-2-amino-N-(1-hydroxy-3-methoxypropan-2-yl)butanamide
CID 106188743
2-bromo-N-(1-hydroxy-3-methoxypropan-2-yl)-3-methylbutanamide
CID 106186138
N-(1-hydroxy-3-methoxypropan-2-yl)-4-(2-oxopiperidin-1-yl)butanamide
CID 122561315

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1-hydroxy-3-methoxypropan-2-yl)propanamide?
The IUPAC name of 3-chloro-N-(1-hydroxy-3-methoxypropan-2-yl)propanamide (CID 106186140) is 3-chloro-N-(1-hydroxy-3-methoxypropan-2-yl)propanamide.
What is the SMILES notation for 3-chloro-N-(1-hydroxy-3-methoxypropan-2-yl)propanamide?
The canonical SMILES for 3-chloro-N-(1-hydroxy-3-methoxypropan-2-yl)propanamide is COCC(CO)NC(=O)CCCl.
What is the InChIKey of 3-chloro-N-(1-hydroxy-3-methoxypropan-2-yl)propanamide?
The InChIKey is OEWDLRVQVBRCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClNO3/c1-12-5-6(4-10)9-7(11)2-3-8/h6,10H,2-5H2,1H3,(H,9,11).
What are the key properties of 3-chloro-N-(1-hydroxy-3-methoxypropan-2-yl)propanamide?
3-chloro-N-(1-hydroxy-3-methoxypropan-2-yl)propanamide has a molecular weight of 195.65 g/mol, XLogP of -0.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1-hydroxy-3-methoxypropan-2-yl)propanamide is sourced from PubChem (CID 106186140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).