N-(1-chloro-2-phenylpropan-2-yl)-3-(oxolan-2-yl)propanamide

C16H22ClNO2 — CID 105059667

IUPACN-(1-chloro-2-phenylpropan-2-yl)-3-(oxolan-2-yl)propanamide
SMILESCC(CCl)(NC(=O)CCC1CCCO1)c1ccccc1
InChIInChI=1S/C16H22ClNO2/c1-16(12-17,13-6-3-2-4-7-13)18-15(19)10-9-14-8-5-11-20-14/h2-4,6-7,14H,5,8-12H2,1H3,(H,18,19)
InChIKeyDBSPWCBTFQDYIC-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.22
Rot. Bonds6

About N-(1-chloro-2-phenylpropan-2-yl)-3-(oxolan-2-yl)propanamide

N-(1-chloro-2-phenylpropan-2-yl)-3-(oxolan-2-yl)propanamide (PubChem CID 105059667) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is N-(1-chloro-2-phenylpropan-2-yl)-3-(oxolan-2-yl)propanamide.

Molecular Properties

Compound NameN-(1-chloro-2-phenylpropan-2-yl)-3-(oxolan-2-yl)propanamide
PubChem CID105059667
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC NameN-(1-chloro-2-phenylpropan-2-yl)-3-(oxolan-2-yl)propanamide
SMILESCC(CCl)(NC(=O)CCC1CCCO1)c1ccccc1
InChIInChI=1S/C16H22ClNO2/c1-16(12-17,13-6-3-2-4-7-13)18-15(19)10-9-14-8-5-11-20-14/h2-4,6-7,14H,5,8-12H2,1H3,(H,18,19)
InChIKeyDBSPWCBTFQDYIC-UHFFFAOYSA-N
XLogP3.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2R)-1-methoxy-2-phenylpropan-2-yl]-3-[(2R)-oxolan-2-yl]propanamide
CID 96559972
N-tert-butyl-2-[3-[(2S)-oxolan-2-yl]propanoylamino]benzamide
CID 94642296
N-(1-amino-2-phenylpropan-2-yl)-3-cyclopentylpropanamide
CID 105060455
3-[(2S)-oxolan-2-yl]-N-pyridin-2-ylpropanamide
CID 51938440
N-(2-chlorophenyl)-3-[(2R)-oxolan-2-yl]propanamide
CID 39087895
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-(oxan-2-yl)propanamide
CID 113354475
3-[(2S)-oxolan-2-yl]-N-[(3R)-3-phenylbutyl]propanamide
CID 94821729
N-[2-methyl-3-[3-(oxolan-2-yl)propanoylamino]phenyl]benzamide
CID 87028458
1-(2-tert-butylphenyl)-3-(oxolan-2-yl)propan-1-one
CID 114976956
N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-3-(oxolan-2-yl)propanamide
CID 77057759
N-[2-(chloromethyl)phenyl]-3-(oxan-2-yl)propanamide
CID 114298345
2-(oxolan-2-ylmethylcarbamoylamino)-2-phenylpropanoic acid
CID 16786304

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-2-phenylpropan-2-yl)-3-(oxolan-2-yl)propanamide?
The IUPAC name of N-(1-chloro-2-phenylpropan-2-yl)-3-(oxolan-2-yl)propanamide (CID 105059667) is N-(1-chloro-2-phenylpropan-2-yl)-3-(oxolan-2-yl)propanamide.
What is the SMILES notation for N-(1-chloro-2-phenylpropan-2-yl)-3-(oxolan-2-yl)propanamide?
The canonical SMILES for N-(1-chloro-2-phenylpropan-2-yl)-3-(oxolan-2-yl)propanamide is CC(CCl)(NC(=O)CCC1CCCO1)c1ccccc1.
What is the InChIKey of N-(1-chloro-2-phenylpropan-2-yl)-3-(oxolan-2-yl)propanamide?
The InChIKey is DBSPWCBTFQDYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO2/c1-16(12-17,13-6-3-2-4-7-13)18-15(19)10-9-14-8-5-11-20-14/h2-4,6-7,14H,5,8-12H2,1H3,(H,18,19).
What are the key properties of N-(1-chloro-2-phenylpropan-2-yl)-3-(oxolan-2-yl)propanamide?
N-(1-chloro-2-phenylpropan-2-yl)-3-(oxolan-2-yl)propanamide has a molecular weight of 295.81 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-2-phenylpropan-2-yl)-3-(oxolan-2-yl)propanamide is sourced from PubChem (CID 105059667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).