N,N-bis[1-(oxiran-2-ylmethyl)cyclopentyl]-2-phenylacetamide

C24H33NO3 — CID 88735258

IUPACN,N-bis[1-(oxiran-2-ylmethyl)cyclopentyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)N(C1(CC2CO2)CCCC1)C1(CC2CO2)CCCC1
InChIInChI=1S/C24H33NO3/c26-22(14-19-8-2-1-3-9-19)25(23(10-4-5-11-23)15-20-17-27-20)24(12-6-7-13-24)16-21-18-28-21/h1-3,8-9,20-21H,4-7,10-18H2
InChIKeyXWJZYQMIXAALSY-UHFFFAOYSA-N
MW383.53 g/mol
LogP4.26
Rot. Bonds8

About N,N-bis[1-(oxiran-2-ylmethyl)cyclopentyl]-2-phenylacetamide

N,N-bis[1-(oxiran-2-ylmethyl)cyclopentyl]-2-phenylacetamide (PubChem CID 88735258) has the molecular formula C24H33NO3 and a molecular weight of 383.53 g/mol. Its IUPAC name is N,N-bis[1-(oxiran-2-ylmethyl)cyclopentyl]-2-phenylacetamide.

Molecular Properties

Compound NameN,N-bis[1-(oxiran-2-ylmethyl)cyclopentyl]-2-phenylacetamide
PubChem CID88735258
Molecular FormulaC24H33NO3
Molecular Weight383.53 g/mol
Exact Mass383.25
IUPAC NameN,N-bis[1-(oxiran-2-ylmethyl)cyclopentyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)N(C1(CC2CO2)CCCC1)C1(CC2CO2)CCCC1
InChIInChI=1S/C24H33NO3/c26-22(14-19-8-2-1-3-9-19)25(23(10-4-5-11-23)15-20-17-27-20)24(12-6-7-13-24)16-21-18-28-21/h1-3,8-9,20-21H,4-7,10-18H2
InChIKeyXWJZYQMIXAALSY-UHFFFAOYSA-N
XLogP4.26
TPSA45.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.53
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-bis(oxiran-2-ylmethyl)-2-phenylacetamide
CID 88735024
N-but-2-enyl-N-(oxiran-2-ylmethyl)-2-phenylacetamide
CID 173429053
2-benzyl-4-(oxiran-2-yl)but-2-enoic acid
CID 173462978
N,2-diphenyl-N-(2-phenylacetyl)acetamide
CID 23298384
2-(4-aminophenyl)-N-benzyl-N-(oxolan-2-ylmethyl)acetamide
CID 119747350
[(2S)-oxiran-2-yl]methyl 2-(4-benzylphenyl)acetate
CID 56950595
N-(2-chloroethyl)-N-cyclopropyl-2-phenylacetamide
CID 63394434
2-[cyclopentyl-(2-phenylacetyl)amino]acetic acid
CID 54926378
1-(1-oxaspiro[5.5]undecan-4-yl)-2-phenylethanone
CID 79912329
1-(1-aminocyclopentyl)-3-phenylpropan-2-one
CID 116578581
benzyl 1-(oxiran-2-yl)cyclohexane-1-carboxylate
CID 10706467
1-oxaspiro[4.5]decane;2-phenylacetamide
CID 21117982

Frequently Asked Questions

What is the IUPAC name of N,N-bis[1-(oxiran-2-ylmethyl)cyclopentyl]-2-phenylacetamide?
The IUPAC name of N,N-bis[1-(oxiran-2-ylmethyl)cyclopentyl]-2-phenylacetamide (CID 88735258) is N,N-bis[1-(oxiran-2-ylmethyl)cyclopentyl]-2-phenylacetamide.
What is the SMILES notation for N,N-bis[1-(oxiran-2-ylmethyl)cyclopentyl]-2-phenylacetamide?
The canonical SMILES for N,N-bis[1-(oxiran-2-ylmethyl)cyclopentyl]-2-phenylacetamide is O=C(Cc1ccccc1)N(C1(CC2CO2)CCCC1)C1(CC2CO2)CCCC1.
What is the InChIKey of N,N-bis[1-(oxiran-2-ylmethyl)cyclopentyl]-2-phenylacetamide?
The InChIKey is XWJZYQMIXAALSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO3/c26-22(14-19-8-2-1-3-9-19)25(23(10-4-5-11-23)15-20-17-27-20)24(12-6-7-13-24)16-21-18-28-21/h1-3,8-9,20-21H,4-7,10-18H2.
What are the key properties of N,N-bis[1-(oxiran-2-ylmethyl)cyclopentyl]-2-phenylacetamide?
N,N-bis[1-(oxiran-2-ylmethyl)cyclopentyl]-2-phenylacetamide has a molecular weight of 383.53 g/mol, XLogP of 4.26, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[1-(oxiran-2-ylmethyl)cyclopentyl]-2-phenylacetamide is sourced from PubChem (CID 88735258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).