N,N-bis(oxiran-2-ylmethyl)-3-phenylprop-2-enamide

C15H17NO3 — CID 154477095

IUPACN,N-bis(oxiran-2-ylmethyl)-3-phenylprop-2-enamide
SMILESO=C(C=Cc1ccccc1)N(CC1CO1)CC1CO1
InChIInChI=1S/C15H17NO3/c17-15(7-6-12-4-2-1-3-5-12)16(8-13-10-18-13)9-14-11-19-14/h1-7,13-14H,8-11H2
InChIKeyOKTKSOSRADURQN-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.33
Rot. Bonds6

About N,N-bis(oxiran-2-ylmethyl)-3-phenylprop-2-enamide

N,N-bis(oxiran-2-ylmethyl)-3-phenylprop-2-enamide (PubChem CID 154477095) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is N,N-bis(oxiran-2-ylmethyl)-3-phenylprop-2-enamide.

Molecular Properties

Compound NameN,N-bis(oxiran-2-ylmethyl)-3-phenylprop-2-enamide
PubChem CID154477095
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC NameN,N-bis(oxiran-2-ylmethyl)-3-phenylprop-2-enamide
SMILESO=C(C=Cc1ccccc1)N(CC1CO1)CC1CO1
InChIInChI=1S/C15H17NO3/c17-15(7-6-12-4-2-1-3-5-12)16(8-13-10-18-13)9-14-11-19-14/h1-7,13-14H,8-11H2
InChIKeyOKTKSOSRADURQN-UHFFFAOYSA-N
XLogP1.33
TPSA45.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(Z)-N,N-dibenzyl-3-phenylprop-2-enamide
CID 11163228
(E)-N-[(4-chlorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylprop-2-enamide
CID 40850268
N-(oxiran-2-ylmethyl)-3-phenylprop-2-enamide
CID 131846680
N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)-3-phenylprop-2-enamide
CID 75910284
(E)-N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-3-phenylprop-2-enamide
CID 45205428
N-(oxolan-2-ylmethyl)-3-phenyl-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 75904558
N,N-bis(3-hydroxypropyl)-3-phenylprop-2-enamide
CID 176654258
(E)-N,N-bis(2-methylpropyl)-3-phenylprop-2-enamide
CID 732127
N,N-bis(oxiran-2-ylmethyl)-2-phenylacetamide
CID 88735024
N,N-dihydroxy-3-phenylprop-2-enamide
CID 141104282
2-[2-(dimethylamino)ethyl-[(E)-3-phenylprop-2-enoyl]amino]acetic acid
CID 103802756
2-[3-(4-fluorophenyl)prop-2-enoyl-(oxolan-2-ylmethyl)amino]acetic acid
CID 71915579

Frequently Asked Questions

What is the IUPAC name of N,N-bis(oxiran-2-ylmethyl)-3-phenylprop-2-enamide?
The IUPAC name of N,N-bis(oxiran-2-ylmethyl)-3-phenylprop-2-enamide (CID 154477095) is N,N-bis(oxiran-2-ylmethyl)-3-phenylprop-2-enamide.
What is the SMILES notation for N,N-bis(oxiran-2-ylmethyl)-3-phenylprop-2-enamide?
The canonical SMILES for N,N-bis(oxiran-2-ylmethyl)-3-phenylprop-2-enamide is O=C(C=Cc1ccccc1)N(CC1CO1)CC1CO1.
What is the InChIKey of N,N-bis(oxiran-2-ylmethyl)-3-phenylprop-2-enamide?
The InChIKey is OKTKSOSRADURQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c17-15(7-6-12-4-2-1-3-5-12)16(8-13-10-18-13)9-14-11-19-14/h1-7,13-14H,8-11H2.
What are the key properties of N,N-bis(oxiran-2-ylmethyl)-3-phenylprop-2-enamide?
N,N-bis(oxiran-2-ylmethyl)-3-phenylprop-2-enamide has a molecular weight of 259.31 g/mol, XLogP of 1.33, 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)-3-phenylprop-2-enamide is sourced from PubChem (CID 154477095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).