N-[4-[2-[1-(1-hydroxycyclohexyl)ethylamino]-2-oxoethyl]phenyl]prop-2-enamide

C19H26N2O3 — CID 166420251

IUPACN-[4-[2-[1-(1-hydroxycyclohexyl)ethylamino]-2-oxoethyl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(CC(=O)NC(C)C2(O)CCCCC2)cc1
InChIInChI=1S/C19H26N2O3/c1-3-17(22)21-16-9-7-15(8-10-16)13-18(23)20-14(2)19(24)11-5-4-6-12-19/h3,7-10,14,24H,1,4-6,11-13H2,2H3,(H,20,23)(H,21,22)
InChIKeyUMLIAZVINJTDOI-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.55
Rot. Bonds6

About N-[4-[2-[1-(1-hydroxycyclohexyl)ethylamino]-2-oxoethyl]phenyl]prop-2-enamide

N-[4-[2-[1-(1-hydroxycyclohexyl)ethylamino]-2-oxoethyl]phenyl]prop-2-enamide (PubChem CID 166420251) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-[4-[2-[1-(1-hydroxycyclohexyl)ethylamino]-2-oxoethyl]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-[2-[1-(1-hydroxycyclohexyl)ethylamino]-2-oxoethyl]phenyl]prop-2-enamide
PubChem CID166420251
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC NameN-[4-[2-[1-(1-hydroxycyclohexyl)ethylamino]-2-oxoethyl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(CC(=O)NC(C)C2(O)CCCCC2)cc1
InChIInChI=1S/C19H26N2O3/c1-3-17(22)21-16-9-7-15(8-10-16)13-18(23)20-14(2)19(24)11-5-4-6-12-19/h3,7-10,14,24H,1,4-6,11-13H2,2H3,(H,20,23)(H,21,22)
InChIKeyUMLIAZVINJTDOI-UHFFFAOYSA-N
XLogP2.55
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[4-[2-[1-(1-hydroxycyclohexyl)ethylamino]-2-oxoethyl]phenyl]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

N-[1-(1-hydroxycyclobutyl)ethyl]-3-[4-(prop-2-enoylamino)phenyl]propanamide
CID 166420370
N-propan-2-yl-1-[[2-[3-(prop-2-enoylamino)phenyl]acetyl]amino]cyclohexane-1-carboxamide
CID 166421657
1-[[2-[4-(prop-2-enoylamino)phenyl]acetyl]amino]cyclopentane-1-carboxamide
CID 166421213
1-[[2-[4-(prop-2-enoylamino)phenyl]acetyl]amino]cyclobutane-1-carboxamide
CID 166421359
N-[4-[2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-2-oxoethyl]phenyl]prop-2-enamide
CID 166421340
methyl 2-[4-(prop-2-enoylamino)phenyl]acetate
CID 14209754
N-[4-[2-[2-(cyclohexylcarbamoyl)hydrazinyl]-2-oxoethyl]phenyl]prop-2-enamide
CID 166420235
N-[4-[2-[(4-methoxyoxan-4-yl)methylamino]-2-oxoethyl]phenyl]prop-2-enamide
CID 166420246
N-[4-(aminomethyl)phenyl]prop-2-enamide
CID 82503451
N-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]prop-2-enamide
CID 166406056
N-(4-propan-2-yloxyphenyl)prop-2-enamide
CID 43616366
N-[4-[2-oxo-2-(3-propan-2-yl-2-azaspiro[3.4]oct-6-en-2-yl)ethyl]phenyl]prop-2-enamide
CID 166420266

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[1-(1-hydroxycyclohexyl)ethylamino]-2-oxoethyl]phenyl]prop-2-enamide?
The IUPAC name of N-[4-[2-[1-(1-hydroxycyclohexyl)ethylamino]-2-oxoethyl]phenyl]prop-2-enamide (CID 166420251) is N-[4-[2-[1-(1-hydroxycyclohexyl)ethylamino]-2-oxoethyl]phenyl]prop-2-enamide.
What is the SMILES notation for N-[4-[2-[1-(1-hydroxycyclohexyl)ethylamino]-2-oxoethyl]phenyl]prop-2-enamide?
The canonical SMILES for N-[4-[2-[1-(1-hydroxycyclohexyl)ethylamino]-2-oxoethyl]phenyl]prop-2-enamide is C=CC(=O)Nc1ccc(CC(=O)NC(C)C2(O)CCCCC2)cc1.
What is the InChIKey of N-[4-[2-[1-(1-hydroxycyclohexyl)ethylamino]-2-oxoethyl]phenyl]prop-2-enamide?
The InChIKey is UMLIAZVINJTDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-3-17(22)21-16-9-7-15(8-10-16)13-18(23)20-14(2)19(24)11-5-4-6-12-19/h3,7-10,14,24H,1,4-6,11-13H2,2H3,(H,20,23)(H,21,22).
What are the key properties of N-[4-[2-[1-(1-hydroxycyclohexyl)ethylamino]-2-oxoethyl]phenyl]prop-2-enamide?
N-[4-[2-[1-(1-hydroxycyclohexyl)ethylamino]-2-oxoethyl]phenyl]prop-2-enamide has a molecular weight of 330.43 g/mol, XLogP of 2.55, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[1-(1-hydroxycyclohexyl)ethylamino]-2-oxoethyl]phenyl]prop-2-enamide is sourced from PubChem (CID 166420251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).