N-[3-[2-(oxiran-2-yl)propyl]phenyl]acetamide

C13H17NO2 — CID 175423992

IUPACN-[3-[2-(oxiran-2-yl)propyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(CC(C)C2CO2)c1
InChIInChI=1S/C13H17NO2/c1-9(13-8-16-13)6-11-4-3-5-12(7-11)14-10(2)15/h3-5,7,9,13H,6,8H2,1-2H3,(H,14,15)
InChIKeyKQGHDBMWZRYUDC-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.22
Rot. Bonds4

About N-[3-[2-(oxiran-2-yl)propyl]phenyl]acetamide

N-[3-[2-(oxiran-2-yl)propyl]phenyl]acetamide (PubChem CID 175423992) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is N-[3-[2-(oxiran-2-yl)propyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-(oxiran-2-yl)propyl]phenyl]acetamide
PubChem CID175423992
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC NameN-[3-[2-(oxiran-2-yl)propyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(CC(C)C2CO2)c1
InChIInChI=1S/C13H17NO2/c1-9(13-8-16-13)6-11-4-3-5-12(7-11)14-10(2)15/h3-5,7,9,13H,6,8H2,1-2H3,(H,14,15)
InChIKeyKQGHDBMWZRYUDC-UHFFFAOYSA-N
XLogP2.22
TPSA41.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(2R)-3-(3-acetamidophenyl)-2-aminopropanoic acid
CID 135331594
(2S)-2-[(2R)-1-phenylpropan-2-yl]oxirane
CID 10487206
N-[3-(2-bromo-4-methylpentyl)phenyl]acetamide
CID 82255064
N-[3-(sulfanylmethyl)phenyl]acetamide
CID 17308
N-[3-(propan-2-ylsulfinylmethyl)phenyl]acetamide
CID 89451371
N-[3-(aminomethyl)phenyl]acetamide;hydrochloride
CID 2760945
(2S)-N-(3-acetamidophenyl)-2-amino-3-phenylpropanamide
CID 22691247
N-[3-(ethylaminomethyl)phenyl]acetamide
CID 43601248
2-methyl-N-[3-[[[3-(2-methylprop-2-enoylamino)phenyl]-(oxiran-2-yl)methoxy]-(oxiran-2-yl)methyl]phenyl]prop-2-enamide
CID 87232801
N-[(3-acetamidophenyl)methyl]-1-aminocyclopropane-1-carboxamide
CID 119706274
N-[3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]acetamide
CID 110921338
[(1S)-2-(3-methylphenyl)-1-[(2S)-oxiran-2-yl]ethyl]carbamic acid
CID 87668971

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(oxiran-2-yl)propyl]phenyl]acetamide?
The IUPAC name of N-[3-[2-(oxiran-2-yl)propyl]phenyl]acetamide (CID 175423992) is N-[3-[2-(oxiran-2-yl)propyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[2-(oxiran-2-yl)propyl]phenyl]acetamide?
The canonical SMILES for N-[3-[2-(oxiran-2-yl)propyl]phenyl]acetamide is CC(=O)Nc1cccc(CC(C)C2CO2)c1.
What is the InChIKey of N-[3-[2-(oxiran-2-yl)propyl]phenyl]acetamide?
The InChIKey is KQGHDBMWZRYUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-9(13-8-16-13)6-11-4-3-5-12(7-11)14-10(2)15/h3-5,7,9,13H,6,8H2,1-2H3,(H,14,15).
What are the key properties of N-[3-[2-(oxiran-2-yl)propyl]phenyl]acetamide?
N-[3-[2-(oxiran-2-yl)propyl]phenyl]acetamide has a molecular weight of 219.28 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(oxiran-2-yl)propyl]phenyl]acetamide is sourced from PubChem (CID 175423992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).