N,N-bis(oxiran-2-ylmethyl)-2-phenylacetamide

C14H17NO3 — CID 88735024

IUPACN,N-bis(oxiran-2-ylmethyl)-2-phenylacetamide
SMILESO=C(Cc1ccccc1)N(CC1CO1)CC1CO1
InChIInChI=1S/C14H17NO3/c16-14(6-11-4-2-1-3-5-11)15(7-12-9-17-12)8-13-10-18-13/h1-5,12-13H,6-10H2
InChIKeyUDHQLJLUAPPCEE-UHFFFAOYSA-N
MW247.29 g/mol
LogP0.86
Rot. Bonds6

About N,N-bis(oxiran-2-ylmethyl)-2-phenylacetamide

N,N-bis(oxiran-2-ylmethyl)-2-phenylacetamide (PubChem CID 88735024) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is N,N-bis(oxiran-2-ylmethyl)-2-phenylacetamide.

Molecular Properties

Compound NameN,N-bis(oxiran-2-ylmethyl)-2-phenylacetamide
PubChem CID88735024
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC NameN,N-bis(oxiran-2-ylmethyl)-2-phenylacetamide
SMILESO=C(Cc1ccccc1)N(CC1CO1)CC1CO1
InChIInChI=1S/C14H17NO3/c16-14(6-11-4-2-1-3-5-11)15(7-12-9-17-12)8-13-10-18-13/h1-5,12-13H,6-10H2
InChIKeyUDHQLJLUAPPCEE-UHFFFAOYSA-N
XLogP0.86
TPSA45.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 50.86
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-but-2-enyl-N-(oxiran-2-ylmethyl)-2-phenylacetamide
CID 173429053
benzyl N-ethyl-N-[[(2R)-oxiran-2-yl]methyl]carbamate
CID 88573099
N,N-bis[1-(oxiran-2-ylmethyl)cyclopentyl]-2-phenylacetamide
CID 88735258
2-(4-aminophenyl)-N-benzyl-N-(oxolan-2-ylmethyl)acetamide
CID 119747350
N,N-bis(oxiran-2-ylmethyl)-3-phenylprop-2-enamide
CID 154477095
(3-bromophenyl)methyl-(oxiran-2-ylmethyl)carbamic acid
CID 87093261
[(2S)-oxiran-2-yl]methyl 2-(4-benzylphenyl)acetate
CID 56950595
2-benzyl-4-(oxiran-2-yl)but-2-enoic acid
CID 173462978
N-(cyclopropylmethyl)-2-phenyl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 106608735
1,1,3,3-tetrakis(oxiran-2-ylmethyl)urea
CID 21422545
(2S)-2-[benzyl(oxiran-2-ylmethyl)amino]-3-phenylpropanoic acid
CID 164544715
N,2-diphenyl-N-(2-phenylacetyl)acetamide
CID 23298384

Frequently Asked Questions

What is the IUPAC name of N,N-bis(oxiran-2-ylmethyl)-2-phenylacetamide?
The IUPAC name of N,N-bis(oxiran-2-ylmethyl)-2-phenylacetamide (CID 88735024) is N,N-bis(oxiran-2-ylmethyl)-2-phenylacetamide.
What is the SMILES notation for N,N-bis(oxiran-2-ylmethyl)-2-phenylacetamide?
The canonical SMILES for N,N-bis(oxiran-2-ylmethyl)-2-phenylacetamide is O=C(Cc1ccccc1)N(CC1CO1)CC1CO1.
What is the InChIKey of N,N-bis(oxiran-2-ylmethyl)-2-phenylacetamide?
The InChIKey is UDHQLJLUAPPCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c16-14(6-11-4-2-1-3-5-11)15(7-12-9-17-12)8-13-10-18-13/h1-5,12-13H,6-10H2.
What are the key properties of N,N-bis(oxiran-2-ylmethyl)-2-phenylacetamide?
N,N-bis(oxiran-2-ylmethyl)-2-phenylacetamide has a molecular weight of 247.29 g/mol, XLogP of 0.86, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(oxiran-2-ylmethyl)-2-phenylacetamide is sourced from PubChem (CID 88735024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).