4-(2-chlorophenyl)-2,2-dimethyl-N-(oxan-2-yloxy)butanamide

C17H24ClNO3 — CID 150816823

IUPAC4-(2-chlorophenyl)-2,2-dimethyl-N-(oxan-2-yloxy)butanamide
SMILESCC(C)(CCc1ccccc1Cl)C(=O)NOC1CCCCO1
InChIInChI=1S/C17H24ClNO3/c1-17(2,11-10-13-7-3-4-8-14(13)18)16(20)19-22-15-9-5-6-12-21-15/h3-4,7-8,15H,5-6,9-12H2,1-2H3,(H,19,20)
InChIKeyKJBCOWYPNJJUFZ-UHFFFAOYSA-N
MW325.84 g/mol
LogP3.87
Rot. Bonds6

About 4-(2-chlorophenyl)-2,2-dimethyl-N-(oxan-2-yloxy)butanamide

4-(2-chlorophenyl)-2,2-dimethyl-N-(oxan-2-yloxy)butanamide (PubChem CID 150816823) has the molecular formula C17H24ClNO3 and a molecular weight of 325.84 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-2,2-dimethyl-N-(oxan-2-yloxy)butanamide.

Molecular Properties

Compound Name4-(2-chlorophenyl)-2,2-dimethyl-N-(oxan-2-yloxy)butanamide
PubChem CID150816823
Molecular FormulaC17H24ClNO3
Molecular Weight325.84 g/mol
Exact Mass325.14
IUPAC Name4-(2-chlorophenyl)-2,2-dimethyl-N-(oxan-2-yloxy)butanamide
SMILESCC(C)(CCc1ccccc1Cl)C(=O)NOC1CCCCO1
InChIInChI=1S/C17H24ClNO3/c1-17(2,11-10-13-7-3-4-8-14(13)18)16(20)19-22-15-9-5-6-12-21-15/h3-4,7-8,15H,5-6,9-12H2,1-2H3,(H,19,20)
InChIKeyKJBCOWYPNJJUFZ-UHFFFAOYSA-N
XLogP3.87
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-4-(2-methyl-4-phenylphenyl)-2-methylsulfonyl-N-(oxan-2-yloxy)butanamide
CID 86668756
4-(4-bromo-2-methylphenyl)-2-methyl-2-methylsulfonyl-N-(oxan-2-yloxy)butanamide;2-methyl-4-(2-methyl-4-phenylphenyl)-2-methylsulfonyl-N-(oxan-2-yloxy)butanamide
CID 159202515
4-(4-bromo-2-fluorophenyl)-2-methyl-2-methylsulfonyl-N-(oxan-2-yloxy)butanamide;4-(2-fluoro-4-phenylphenyl)-2-methyl-2-methylsulfonyl-N-(oxan-2-yloxy)butanamide
CID 158962085
4-(2-chlorophenyl)-N-[(2S)-oxan-2-yl]oxyoxane-4-carboxamide
CID 95322508
4-chloro-N-(oxan-2-yloxy)benzamide
CID 51103118
2-methyl-N-(oxan-2-yloxy)-1-phenylprop-1-en-1-amine
CID 117061304
3-(2-chlorophenyl)-N-cyclopentyloxypropanamide
CID 83202593
2-(2-chlorophenyl)-N-[(2R)-oxan-2-yl]oxy-1,3-thiazole-4-carboxamide
CID 95174222
2-(4-methoxyphenyl)-N-[(2R)-oxan-2-yl]oxyacetamide
CID 94817277
3-(2-chlorophenyl)-N-ethyl-N-(oxan-2-ylmethyl)propanamide
CID 91786141
2-(4-chlorobenzoyl)-N-[(2S)-oxan-2-yl]oxybenzamide
CID 52828045
N-(oxan-2-yloxy)-3-phenylthiophene-2-carboxamide
CID 60613305

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-2,2-dimethyl-N-(oxan-2-yloxy)butanamide?
The IUPAC name of 4-(2-chlorophenyl)-2,2-dimethyl-N-(oxan-2-yloxy)butanamide (CID 150816823) is 4-(2-chlorophenyl)-2,2-dimethyl-N-(oxan-2-yloxy)butanamide.
What is the SMILES notation for 4-(2-chlorophenyl)-2,2-dimethyl-N-(oxan-2-yloxy)butanamide?
The canonical SMILES for 4-(2-chlorophenyl)-2,2-dimethyl-N-(oxan-2-yloxy)butanamide is CC(C)(CCc1ccccc1Cl)C(=O)NOC1CCCCO1.
What is the InChIKey of 4-(2-chlorophenyl)-2,2-dimethyl-N-(oxan-2-yloxy)butanamide?
The InChIKey is KJBCOWYPNJJUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO3/c1-17(2,11-10-13-7-3-4-8-14(13)18)16(20)19-22-15-9-5-6-12-21-15/h3-4,7-8,15H,5-6,9-12H2,1-2H3,(H,19,20).
What are the key properties of 4-(2-chlorophenyl)-2,2-dimethyl-N-(oxan-2-yloxy)butanamide?
4-(2-chlorophenyl)-2,2-dimethyl-N-(oxan-2-yloxy)butanamide has a molecular weight of 325.84 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-2,2-dimethyl-N-(oxan-2-yloxy)butanamide is sourced from PubChem (CID 150816823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).