(E)-N-(2-azidoethyl)-3-(3-methoxyphenyl)prop-2-enamide

C12H14N4O2 — CID 95936690

IUPAC(E)-N-(2-azidoethyl)-3-(3-methoxyphenyl)prop-2-enamide
SMILESCOc1cccc(/C=C/C(=O)NCCN=[N+]=[N-])c1
InChIInChI=1S/C12H14N4O2/c1-18-11-4-2-3-10(9-11)5-6-12(17)14-7-8-15-16-13/h2-6,9H,7-8H2,1H3,(H,14,17)/b6-5+
InChIKeyGTDQYJZSELRJSL-AATRIKPKSA-N
MW246.27 g/mol
LogP2.13
Rot. Bonds6

About (E)-N-(2-azidoethyl)-3-(3-methoxyphenyl)prop-2-enamide

(E)-N-(2-azidoethyl)-3-(3-methoxyphenyl)prop-2-enamide (PubChem CID 95936690) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is (E)-N-(2-azidoethyl)-3-(3-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-azidoethyl)-3-(3-methoxyphenyl)prop-2-enamide
PubChem CID95936690
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name(E)-N-(2-azidoethyl)-3-(3-methoxyphenyl)prop-2-enamide
SMILESCOc1cccc(/C=C/C(=O)NCCN=[N+]=[N-])c1
InChIInChI=1S/C12H14N4O2/c1-18-11-4-2-3-10(9-11)5-6-12(17)14-7-8-15-16-13/h2-6,9H,7-8H2,1H3,(H,14,17)/b6-5+
InChIKeyGTDQYJZSELRJSL-AATRIKPKSA-N
XLogP2.13
TPSA87.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(3-methoxyphenyl)-N-[2-(4-methylphenoxy)ethyl]prop-2-enamide
CID 7761266
(E)-N-(4-azidobutyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 106386697
N-(2-hydroxy-2-methylpropyl)-3-(3-methoxyphenyl)prop-2-enamide
CID 77056258
(E)-3-(3-methoxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]prop-2-enamide
CID 11324381
(E)-3-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]prop-2-enamide
CID 7772448
2-cyano-N-[3-[[(E)-3-(3-methoxyphenyl)prop-2-enoyl]amino]propyl]acetamide
CID 108924406
(E)-3-(3-methoxyphenyl)-N-(4-pyrrolidin-1-ylbutyl)prop-2-enamide
CID 27397147
N-(3-hydroxy-2-methylpropyl)-3-(3-methoxyphenyl)prop-2-enamide
CID 77055664
(E)-3-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)prop-2-enamide
CID 27396981
(E)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(3-methoxyphenyl)prop-2-enamide
CID 7613519
tert-butyl N-[2-[3-[[(E)-3-(3-methoxyphenyl)prop-2-enoyl]amino]propylamino]-2-oxoethyl]carbamate
CID 108918842
(E)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-3-(3-methoxyphenyl)prop-2-enamide
CID 46551428

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-azidoethyl)-3-(3-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(2-azidoethyl)-3-(3-methoxyphenyl)prop-2-enamide (CID 95936690) is (E)-N-(2-azidoethyl)-3-(3-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2-azidoethyl)-3-(3-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(2-azidoethyl)-3-(3-methoxyphenyl)prop-2-enamide is COc1cccc(/C=C/C(=O)NCCN=[N+]=[N-])c1.
What is the InChIKey of (E)-N-(2-azidoethyl)-3-(3-methoxyphenyl)prop-2-enamide?
The InChIKey is GTDQYJZSELRJSL-AATRIKPKSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-18-11-4-2-3-10(9-11)5-6-12(17)14-7-8-15-16-13/h2-6,9H,7-8H2,1H3,(H,14,17)/b6-5+.
What are the key properties of (E)-N-(2-azidoethyl)-3-(3-methoxyphenyl)prop-2-enamide?
(E)-N-(2-azidoethyl)-3-(3-methoxyphenyl)prop-2-enamide has a molecular weight of 246.27 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-azidoethyl)-3-(3-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 95936690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).