N-but-2-enyl-N-(oxiran-2-ylmethyl)-2-phenylacetamide

C15H19NO2 — CID 173429053

IUPACN-but-2-enyl-N-(oxiran-2-ylmethyl)-2-phenylacetamide
SMILESCC=CCN(CC1CO1)C(=O)Cc1ccccc1
InChIInChI=1S/C15H19NO2/c1-2-3-9-16(11-14-12-18-14)15(17)10-13-7-5-4-6-8-13/h2-8,14H,9-12H2,1H3
InChIKeyXYGIQPRZPRRAIU-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.03
Rot. Bonds6

About N-but-2-enyl-N-(oxiran-2-ylmethyl)-2-phenylacetamide

N-but-2-enyl-N-(oxiran-2-ylmethyl)-2-phenylacetamide (PubChem CID 173429053) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is N-but-2-enyl-N-(oxiran-2-ylmethyl)-2-phenylacetamide.

Molecular Properties

Compound NameN-but-2-enyl-N-(oxiran-2-ylmethyl)-2-phenylacetamide
PubChem CID173429053
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC NameN-but-2-enyl-N-(oxiran-2-ylmethyl)-2-phenylacetamide
SMILESCC=CCN(CC1CO1)C(=O)Cc1ccccc1
InChIInChI=1S/C15H19NO2/c1-2-3-9-16(11-14-12-18-14)15(17)10-13-7-5-4-6-8-13/h2-8,14H,9-12H2,1H3
InChIKeyXYGIQPRZPRRAIU-UHFFFAOYSA-N
XLogP2.03
TPSA32.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-bis(oxiran-2-ylmethyl)-2-phenylacetamide
CID 88735024
benzyl N-ethyl-N-[[(2R)-oxiran-2-yl]methyl]carbamate
CID 88573099
N,N-bis[1-(oxiran-2-ylmethyl)cyclopentyl]-2-phenylacetamide
CID 88735258
1-phenylhex-4-en-2-one
CID 72746081
2-(4-aminophenyl)-N-benzyl-N-(oxolan-2-ylmethyl)acetamide
CID 119747350
2-(2-methyl-1,3-thiazol-4-yl)-N-(oxolan-2-ylmethyl)-N-(3-phenylprop-2-enyl)acetamide
CID 91940786
2-(2-methyl-1,3-thiazol-4-yl)-N-(oxolan-2-ylmethyl)-N-[(E)-3-phenylprop-2-enyl]acetamide
CID 72931700
diethyl 2-[2-[benzyl-[(Z)-but-2-enyl]amino]-2-oxoethylidene]propanedioate
CID 122367945
2-benzyl-4-(oxiran-2-yl)but-2-enoic acid
CID 173462978
2-phenyl-N-(piperidin-4-ylmethyl)-N-propylacetamide
CID 79720329
(3-bromophenyl)methyl-(oxiran-2-ylmethyl)carbamic acid
CID 87093261
N-methyl-N-(oxolan-3-ylmethyl)-2-phenylacetamide
CID 110875875

Frequently Asked Questions

What is the IUPAC name of N-but-2-enyl-N-(oxiran-2-ylmethyl)-2-phenylacetamide?
The IUPAC name of N-but-2-enyl-N-(oxiran-2-ylmethyl)-2-phenylacetamide (CID 173429053) is N-but-2-enyl-N-(oxiran-2-ylmethyl)-2-phenylacetamide.
What is the SMILES notation for N-but-2-enyl-N-(oxiran-2-ylmethyl)-2-phenylacetamide?
The canonical SMILES for N-but-2-enyl-N-(oxiran-2-ylmethyl)-2-phenylacetamide is CC=CCN(CC1CO1)C(=O)Cc1ccccc1.
What is the InChIKey of N-but-2-enyl-N-(oxiran-2-ylmethyl)-2-phenylacetamide?
The InChIKey is XYGIQPRZPRRAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-2-3-9-16(11-14-12-18-14)15(17)10-13-7-5-4-6-8-13/h2-8,14H,9-12H2,1H3.
What are the key properties of N-but-2-enyl-N-(oxiran-2-ylmethyl)-2-phenylacetamide?
N-but-2-enyl-N-(oxiran-2-ylmethyl)-2-phenylacetamide has a molecular weight of 245.32 g/mol, XLogP of 2.03, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-2-enyl-N-(oxiran-2-ylmethyl)-2-phenylacetamide is sourced from PubChem (CID 173429053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).