(E)-3-(3-cyanophenyl)-N-(3-hydroxypropyl)prop-2-enamide

C13H14N2O2 — CID 43428090

IUPAC(E)-3-(3-cyanophenyl)-N-(3-hydroxypropyl)prop-2-enamide
SMILESN#Cc1cccc(/C=C/C(=O)NCCCO)c1
InChIInChI=1S/C13H14N2O2/c14-10-12-4-1-3-11(9-12)5-6-13(17)15-7-2-8-16/h1,3-6,9,16H,2,7-8H2,(H,15,17)/b6-5+
InChIKeyCARQVXJOZQEAFR-AATRIKPKSA-N
MW230.27 g/mol
LogP1.07
Rot. Bonds5

About (E)-3-(3-cyanophenyl)-N-(3-hydroxypropyl)prop-2-enamide

(E)-3-(3-cyanophenyl)-N-(3-hydroxypropyl)prop-2-enamide (PubChem CID 43428090) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is (E)-3-(3-cyanophenyl)-N-(3-hydroxypropyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-cyanophenyl)-N-(3-hydroxypropyl)prop-2-enamide
PubChem CID43428090
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name(E)-3-(3-cyanophenyl)-N-(3-hydroxypropyl)prop-2-enamide
SMILESN#Cc1cccc(/C=C/C(=O)NCCCO)c1
InChIInChI=1S/C13H14N2O2/c14-10-12-4-1-3-11(9-12)5-6-13(17)15-7-2-8-16/h1,3-6,9,16H,2,7-8H2,(H,15,17)/b6-5+
InChIKeyCARQVXJOZQEAFR-AATRIKPKSA-N
XLogP1.07
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-3-(3-cyanophenyl)-N-(3-hydroxypropyl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-(3-aminophenyl)-N-(3-hydroxypropyl)prop-2-enamide
CID 115342777
(E)-3-(3-cyanophenyl)-N-(2-thiophen-2-ylethyl)prop-2-enamide
CID 39931408
(Z)-3-(3-cyanophenyl)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]prop-2-enamide
CID 97455084
2-[[2-[[(E)-3-(3-cyanophenyl)prop-2-enoyl]amino]acetyl]amino]acetic acid
CID 43465441
3-(3-cyanophenyl)-N-[(1-hydroxycyclopentyl)methyl]prop-2-enamide
CID 77022338
3-(3-cyanophenyl)-N-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propyl]prop-2-enamide
CID 54515701
(E)-3-(3-cyanophenyl)-N-[1-(hydroxymethyl)cyclopropyl]prop-2-enamide
CID 115764671
4-[[(E)-3-(3-cyanophenyl)prop-2-enoyl]amino]-3-methylbutanoic acid
CID 81063460
3-(3-cyanophenyl)-N-(1-hydroxy-4-methylpentan-2-yl)prop-2-enamide
CID 61245487
3-(3-oxobut-1-enyl)benzonitrile
CID 54320698
(E)-3-(3-cyanophenyl)-N-[(2S)-1-hydroxybutan-2-yl]prop-2-enamide
CID 104981033
(E)-3-(3-cyanophenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)prop-2-enamide
CID 54885145

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-cyanophenyl)-N-(3-hydroxypropyl)prop-2-enamide?
The IUPAC name of (E)-3-(3-cyanophenyl)-N-(3-hydroxypropyl)prop-2-enamide (CID 43428090) is (E)-3-(3-cyanophenyl)-N-(3-hydroxypropyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3-cyanophenyl)-N-(3-hydroxypropyl)prop-2-enamide?
The canonical SMILES for (E)-3-(3-cyanophenyl)-N-(3-hydroxypropyl)prop-2-enamide is N#Cc1cccc(/C=C/C(=O)NCCCO)c1.
What is the InChIKey of (E)-3-(3-cyanophenyl)-N-(3-hydroxypropyl)prop-2-enamide?
The InChIKey is CARQVXJOZQEAFR-AATRIKPKSA-N. The full InChI is InChI=1S/C13H14N2O2/c14-10-12-4-1-3-11(9-12)5-6-13(17)15-7-2-8-16/h1,3-6,9,16H,2,7-8H2,(H,15,17)/b6-5+.
What are the key properties of (E)-3-(3-cyanophenyl)-N-(3-hydroxypropyl)prop-2-enamide?
(E)-3-(3-cyanophenyl)-N-(3-hydroxypropyl)prop-2-enamide has a molecular weight of 230.27 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-cyanophenyl)-N-(3-hydroxypropyl)prop-2-enamide is sourced from PubChem (CID 43428090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).