(E)-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-phenylpent-2-enamide

C17H23NO3 — CID 110618102

IUPAC(E)-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-phenylpent-2-enamide
SMILESCC/C(=C\C(=O)NCCC1(C)OCCO1)c1ccccc1
InChIInChI=1S/C17H23NO3/c1-3-14(15-7-5-4-6-8-15)13-16(19)18-10-9-17(2)20-11-12-21-17/h4-8,13H,3,9-12H2,1-2H3,(H,18,19)/b14-13+
InChIKeyAIKJKOFHPWVDPR-BUHFOSPRSA-N
MW289.38 g/mol
LogP2.75
Rot. Bonds6

About (E)-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-phenylpent-2-enamide

(E)-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-phenylpent-2-enamide (PubChem CID 110618102) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is (E)-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-phenylpent-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-phenylpent-2-enamide
PubChem CID110618102
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name(E)-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-phenylpent-2-enamide
SMILESCC/C(=C\C(=O)NCCC1(C)OCCO1)c1ccccc1
InChIInChI=1S/C17H23NO3/c1-3-14(15-7-5-4-6-8-15)13-16(19)18-10-9-17(2)20-11-12-21-17/h4-8,13H,3,9-12H2,1-2H3,(H,18,19)/b14-13+
InChIKeyAIKJKOFHPWVDPR-BUHFOSPRSA-N
XLogP2.75
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-phenylbenzamide
CID 110359324
4-fluoro-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]benzamide
CID 110359272
3-methoxy-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]benzamide
CID 110359279
N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]furan-2-carboxamide
CID 110359265
1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-propylurea
CID 110359336
(E)-N-[2-(4-fluorophenyl)-2-oxoethyl]-3-phenylpent-2-enamide
CID 110410017
5-methylhepta-3,5-dien-3-ylbenzene
CID 123274191
2-fluoro-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-5-phenylbenzamide
CID 110611916
2,3-dimethyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]quinoxaline-6-carboxamide
CID 110357024
4-methyl-N-[2-(2-methyl-1,3-dioxan-2-yl)ethyl]benzamide
CID 110369745
methyl N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]carbamate
CID 57358884
(E)-N-[(2S)-1-hydroxypropan-2-yl]-3-phenylpent-2-enamide
CID 110306939

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-phenylpent-2-enamide?
The IUPAC name of (E)-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-phenylpent-2-enamide (CID 110618102) is (E)-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-phenylpent-2-enamide.
What is the SMILES notation for (E)-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-phenylpent-2-enamide?
The canonical SMILES for (E)-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-phenylpent-2-enamide is CC/C(=C\C(=O)NCCC1(C)OCCO1)c1ccccc1.
What is the InChIKey of (E)-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-phenylpent-2-enamide?
The InChIKey is AIKJKOFHPWVDPR-BUHFOSPRSA-N. The full InChI is InChI=1S/C17H23NO3/c1-3-14(15-7-5-4-6-8-15)13-16(19)18-10-9-17(2)20-11-12-21-17/h4-8,13H,3,9-12H2,1-2H3,(H,18,19)/b14-13+.
What are the key properties of (E)-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-phenylpent-2-enamide?
(E)-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-phenylpent-2-enamide has a molecular weight of 289.38 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-phenylpent-2-enamide is sourced from PubChem (CID 110618102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).