N-[(2-phenoxyphenyl)methyl]oxirane-2-carboxamide

C16H15NO3 — CID 154880106

IUPACN-[(2-phenoxyphenyl)methyl]oxirane-2-carboxamide
SMILESO=C(NCc1ccccc1Oc1ccccc1)C1CO1
InChIInChI=1S/C16H15NO3/c18-16(15-11-19-15)17-10-12-6-4-5-9-14(12)20-13-7-2-1-3-8-13/h1-9,15H,10-11H2,(H,17,18)
InChIKeyVKVOYYDIWHXRGK-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.49
Rot. Bonds5

About N-[(2-phenoxyphenyl)methyl]oxirane-2-carboxamide

N-[(2-phenoxyphenyl)methyl]oxirane-2-carboxamide (PubChem CID 154880106) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is N-[(2-phenoxyphenyl)methyl]oxirane-2-carboxamide.

Molecular Properties

Compound NameN-[(2-phenoxyphenyl)methyl]oxirane-2-carboxamide
PubChem CID154880106
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC NameN-[(2-phenoxyphenyl)methyl]oxirane-2-carboxamide
SMILESO=C(NCc1ccccc1Oc1ccccc1)C1CO1
InChIInChI=1S/C16H15NO3/c18-16(15-11-19-15)17-10-12-6-4-5-9-14(12)20-13-7-2-1-3-8-13/h1-9,15H,10-11H2,(H,17,18)
InChIKeyVKVOYYDIWHXRGK-UHFFFAOYSA-N
XLogP2.49
TPSA50.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-[(2-phenoxyphenyl)methyl]oxolane-2-carboxamide;hydrochloride
CID 120790433
2-(cyclopropylmethylamino)-N-[(2-phenoxyphenyl)methyl]acetamide
CID 119756337
2-[[2-(4-methylphenoxy)phenyl]methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120976878
1-methyl-1-(oxan-4-yl)-3-[(2-phenoxyphenyl)methyl]urea
CID 71866432
2-amino-2-(oxan-4-yl)-N-[(2-phenoxyphenyl)methyl]acetamide
CID 120790436
2-amino-2-(oxan-4-yl)-N-[(2-phenoxyphenyl)methyl]acetamide;hydrochloride
CID 120790435
N-[(4-methyl-2-phenoxyphenyl)methyl]morpholine-2-carboxamide;hydrochloride
CID 119811725
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-phenoxyphenyl)methyl]acetamide;hydrochloride
CID 119756338
N-[[2-(3-methylphenoxy)phenyl]methyl]morpholine-3-carboxamide
CID 119777833
(2R)-N-[[2-(4-methylphenoxy)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide
CID 95346618
1-[[2-(4-fluorophenyl)acetyl]amino]-3-[(2-phenoxyphenyl)methyl]urea
CID 60600547
1-ethyl-1-(2-hydroxyethyl)-3-[(2-phenoxyphenyl)methyl]urea
CID 110909282

Frequently Asked Questions

What is the IUPAC name of N-[(2-phenoxyphenyl)methyl]oxirane-2-carboxamide?
The IUPAC name of N-[(2-phenoxyphenyl)methyl]oxirane-2-carboxamide (CID 154880106) is N-[(2-phenoxyphenyl)methyl]oxirane-2-carboxamide.
What is the SMILES notation for N-[(2-phenoxyphenyl)methyl]oxirane-2-carboxamide?
The canonical SMILES for N-[(2-phenoxyphenyl)methyl]oxirane-2-carboxamide is O=C(NCc1ccccc1Oc1ccccc1)C1CO1.
What is the InChIKey of N-[(2-phenoxyphenyl)methyl]oxirane-2-carboxamide?
The InChIKey is VKVOYYDIWHXRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c18-16(15-11-19-15)17-10-12-6-4-5-9-14(12)20-13-7-2-1-3-8-13/h1-9,15H,10-11H2,(H,17,18).
What are the key properties of N-[(2-phenoxyphenyl)methyl]oxirane-2-carboxamide?
N-[(2-phenoxyphenyl)methyl]oxirane-2-carboxamide has a molecular weight of 269.30 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-phenoxyphenyl)methyl]oxirane-2-carboxamide is sourced from PubChem (CID 154880106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).