3-(2-chlorophenyl)-N-[(2-methylpropan-2-yl)oxy]propanamide

C13H18ClNO2 — CID 82725506

IUPAC3-(2-chlorophenyl)-N-[(2-methylpropan-2-yl)oxy]propanamide
SMILESCC(C)(C)ONC(=O)CCc1ccccc1Cl
InChIInChI=1S/C13H18ClNO2/c1-13(2,3)17-15-12(16)9-8-10-6-4-5-7-11(10)14/h4-7H,8-9H2,1-3H3,(H,15,16)
InChIKeyCVFNFVCWYVNAEZ-UHFFFAOYSA-N
MW255.74 g/mol
LogP3.12
Rot. Bonds4

About 3-(2-chlorophenyl)-N-[(2-methylpropan-2-yl)oxy]propanamide

3-(2-chlorophenyl)-N-[(2-methylpropan-2-yl)oxy]propanamide (PubChem CID 82725506) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-[(2-methylpropan-2-yl)oxy]propanamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-[(2-methylpropan-2-yl)oxy]propanamide
PubChem CID82725506
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC Name3-(2-chlorophenyl)-N-[(2-methylpropan-2-yl)oxy]propanamide
SMILESCC(C)(C)ONC(=O)CCc1ccccc1Cl
InChIInChI=1S/C13H18ClNO2/c1-13(2,3)17-15-12(16)9-8-10-6-4-5-7-11(10)14/h4-7H,8-9H2,1-3H3,(H,15,16)
InChIKeyCVFNFVCWYVNAEZ-UHFFFAOYSA-N
XLogP3.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.74
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(3-aminopropanoyl)-3-(2-chlorophenyl)propanehydrazide
CID 94279919
(2R)-2-[3-(2-chlorophenyl)propanoylamino]-3-methoxy-2-methylpropanamide
CID 95767278
3-(2-chlorophenyl)-N-cyclopentyloxypropanamide
CID 83202593
N-(1-aminopropan-2-yl)-3-(2-chlorophenyl)propanamide
CID 110833172
3-(2-chlorophenyl)-N-(2-phenoxyethoxy)propanamide
CID 110632928
3-(2-chlorophenyl)-N-(2,6-dichlorophenyl)propanamide
CID 51058277
1-(2-chlorophenyl)-4,4-dimethylhexan-3-one
CID 91135576
3-(2-chlorophenyl)-N-[(4-methylphenyl)methyl]propanamide
CID 38089852
3-(2-chlorophenyl)-N-(methylcarbamothioyl)propanamide
CID 17179387
3-(2-chlorophenyl)-N-(2-methylprop-2-enyl)propanamide
CID 114618383
N-(3-aminopropyl)-3-(2-chlorophenyl)propanamide
CID 94687820
2-[3-(2-chlorophenyl)propanoylamino]-2-cyclopropylpropanoic acid
CID 43172537

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-[(2-methylpropan-2-yl)oxy]propanamide?
The IUPAC name of 3-(2-chlorophenyl)-N-[(2-methylpropan-2-yl)oxy]propanamide (CID 82725506) is 3-(2-chlorophenyl)-N-[(2-methylpropan-2-yl)oxy]propanamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-[(2-methylpropan-2-yl)oxy]propanamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-[(2-methylpropan-2-yl)oxy]propanamide is CC(C)(C)ONC(=O)CCc1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)-N-[(2-methylpropan-2-yl)oxy]propanamide?
The InChIKey is CVFNFVCWYVNAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-13(2,3)17-15-12(16)9-8-10-6-4-5-7-11(10)14/h4-7H,8-9H2,1-3H3,(H,15,16).
What are the key properties of 3-(2-chlorophenyl)-N-[(2-methylpropan-2-yl)oxy]propanamide?
3-(2-chlorophenyl)-N-[(2-methylpropan-2-yl)oxy]propanamide has a molecular weight of 255.74 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-[(2-methylpropan-2-yl)oxy]propanamide is sourced from PubChem (CID 82725506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).