2-chloro-N-[3-(oxolan-2-ylmethoxy)propyl]-2-phenylacetamide

C16H22ClNO3 — CID 61251530

IUPAC2-chloro-N-[3-(oxolan-2-ylmethoxy)propyl]-2-phenylacetamide
SMILESO=C(NCCCOCC1CCCO1)C(Cl)c1ccccc1
InChIInChI=1S/C16H22ClNO3/c17-15(13-6-2-1-3-7-13)16(19)18-9-5-10-20-12-14-8-4-11-21-14/h1-3,6-7,14-15H,4-5,8-12H2,(H,18,19)
InChIKeyVGEHLRJCBUWCLD-UHFFFAOYSA-N
MW311.81 g/mol
LogP2.67
Rot. Bonds8

About 2-chloro-N-[3-(oxolan-2-ylmethoxy)propyl]-2-phenylacetamide

2-chloro-N-[3-(oxolan-2-ylmethoxy)propyl]-2-phenylacetamide (PubChem CID 61251530) has the molecular formula C16H22ClNO3 and a molecular weight of 311.81 g/mol. Its IUPAC name is 2-chloro-N-[3-(oxolan-2-ylmethoxy)propyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-chloro-N-[3-(oxolan-2-ylmethoxy)propyl]-2-phenylacetamide
PubChem CID61251530
Molecular FormulaC16H22ClNO3
Molecular Weight311.81 g/mol
Exact Mass311.13
IUPAC Name2-chloro-N-[3-(oxolan-2-ylmethoxy)propyl]-2-phenylacetamide
SMILESO=C(NCCCOCC1CCCO1)C(Cl)c1ccccc1
InChIInChI=1S/C16H22ClNO3/c17-15(13-6-2-1-3-7-13)16(19)18-9-5-10-20-12-14-8-4-11-21-14/h1-3,6-7,14-15H,4-5,8-12H2,(H,18,19)
InChIKeyVGEHLRJCBUWCLD-UHFFFAOYSA-N
XLogP2.67
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]benzamide
CID 94598600
2-(2-methylphenyl)-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]acetamide
CID 94421971
1-(2-methoxyphenyl)-3-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]urea
CID 27734061
2-bromo-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide
CID 107904862
2-chloro-N-[3-(2-methoxyethoxy)propyl]-2-phenylacetamide
CID 61251247
2-(methylamino)-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 61378454
2-amino-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide;hydrochloride
CID 119943995
1-(2-fluorophenyl)-3-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]urea
CID 40881806
(2R)-2-amino-3-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]butanamide
CID 79013082
2-bromo-3-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 103854604
3-methoxy-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 134000631
1-benzyl-5-ethyl-N-[3-(oxolan-2-ylmethoxy)propyl]pyrazole-4-carboxamide
CID 78872899

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(oxolan-2-ylmethoxy)propyl]-2-phenylacetamide?
The IUPAC name of 2-chloro-N-[3-(oxolan-2-ylmethoxy)propyl]-2-phenylacetamide (CID 61251530) is 2-chloro-N-[3-(oxolan-2-ylmethoxy)propyl]-2-phenylacetamide.
What is the SMILES notation for 2-chloro-N-[3-(oxolan-2-ylmethoxy)propyl]-2-phenylacetamide?
The canonical SMILES for 2-chloro-N-[3-(oxolan-2-ylmethoxy)propyl]-2-phenylacetamide is O=C(NCCCOCC1CCCO1)C(Cl)c1ccccc1.
What is the InChIKey of 2-chloro-N-[3-(oxolan-2-ylmethoxy)propyl]-2-phenylacetamide?
The InChIKey is VGEHLRJCBUWCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO3/c17-15(13-6-2-1-3-7-13)16(19)18-9-5-10-20-12-14-8-4-11-21-14/h1-3,6-7,14-15H,4-5,8-12H2,(H,18,19).
What are the key properties of 2-chloro-N-[3-(oxolan-2-ylmethoxy)propyl]-2-phenylacetamide?
2-chloro-N-[3-(oxolan-2-ylmethoxy)propyl]-2-phenylacetamide has a molecular weight of 311.81 g/mol, XLogP of 2.67, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(oxolan-2-ylmethoxy)propyl]-2-phenylacetamide is sourced from PubChem (CID 61251530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).