4-[3-[(4-hydroxy-2-methylpentyl)amino]-3-oxoprop-1-enyl]benzamide

C16H22N2O3 — CID 111595447

IUPAC4-[3-[(4-hydroxy-2-methylpentyl)amino]-3-oxoprop-1-enyl]benzamide
SMILESCC(O)CC(C)CNC(=O)C=Cc1ccc(C(N)=O)cc1
InChIInChI=1S/C16H22N2O3/c1-11(9-12(2)19)10-18-15(20)8-5-13-3-6-14(7-4-13)16(17)21/h3-8,11-12,19H,9-10H2,1-2H3,(H2,17,21)(H,18,20)
InChIKeyKSLRBJUXSFSYJD-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.32
Rot. Bonds7

About 4-[3-[(4-hydroxy-2-methylpentyl)amino]-3-oxoprop-1-enyl]benzamide

4-[3-[(4-hydroxy-2-methylpentyl)amino]-3-oxoprop-1-enyl]benzamide (PubChem CID 111595447) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 4-[3-[(4-hydroxy-2-methylpentyl)amino]-3-oxoprop-1-enyl]benzamide.

Molecular Properties

Compound Name4-[3-[(4-hydroxy-2-methylpentyl)amino]-3-oxoprop-1-enyl]benzamide
PubChem CID111595447
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name4-[3-[(4-hydroxy-2-methylpentyl)amino]-3-oxoprop-1-enyl]benzamide
SMILESCC(O)CC(C)CNC(=O)C=Cc1ccc(C(N)=O)cc1
InChIInChI=1S/C16H22N2O3/c1-11(9-12(2)19)10-18-15(20)8-5-13-3-6-14(7-4-13)16(17)21/h3-8,11-12,19H,9-10H2,1-2H3,(H2,17,21)(H,18,20)
InChIKeyKSLRBJUXSFSYJD-UHFFFAOYSA-N
XLogP1.32
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[3-[(4-hydroxy-2-methylpentyl)amino]-3-oxoprop-1-enyl]benzamide 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-(4-hydroxy-2-methylpentyl)-3-(4-methylphenyl)prop-2-enamide
CID 111447673
4-[[(E)-3-(4-carbamoylphenyl)prop-2-enoyl]amino]-2-hydroxybutanoic acid
CID 107831861
4-[(E)-3-(2-methylpropoxyamino)-3-oxoprop-1-enyl]benzamide
CID 115410320
5-[[(E)-3-(4-aminophenyl)prop-2-enoyl]amino]-4-methylpentanoic acid
CID 82688209
4-[(E)-3-(2-bromoprop-2-enylamino)-3-oxoprop-1-enyl]benzamide
CID 115672232
methyl 4-[(E)-3-(4-carbamoylanilino)-3-oxoprop-1-enyl]benzoate
CID 8884646
3-(4-ethylphenyl)-N-(3-hydroxy-2-methylpropyl)prop-2-enamide
CID 77055669
3-[[(E)-3-(4-ethylphenyl)prop-2-enoyl]amino]-2-hydroxypropanamide
CID 106166029
(E)-3-(4-methoxyphenyl)-N-(2-methylbutyl)prop-2-enamide
CID 53243304
(E)-N'-(4-fluorophenyl)-N-(4-hydroxy-2-methylpentyl)but-2-enediamide
CID 110007312
5-[[(E)-3-(4-ethylphenyl)prop-2-enoyl]amino]-4-methylpentanoic acid
CID 82010200
(E)-N-(2-aminopropyl)-3-phenylprop-2-enamide
CID 63733129

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(4-hydroxy-2-methylpentyl)amino]-3-oxoprop-1-enyl]benzamide?
The IUPAC name of 4-[3-[(4-hydroxy-2-methylpentyl)amino]-3-oxoprop-1-enyl]benzamide (CID 111595447) is 4-[3-[(4-hydroxy-2-methylpentyl)amino]-3-oxoprop-1-enyl]benzamide.
What is the SMILES notation for 4-[3-[(4-hydroxy-2-methylpentyl)amino]-3-oxoprop-1-enyl]benzamide?
The canonical SMILES for 4-[3-[(4-hydroxy-2-methylpentyl)amino]-3-oxoprop-1-enyl]benzamide is CC(O)CC(C)CNC(=O)C=Cc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[3-[(4-hydroxy-2-methylpentyl)amino]-3-oxoprop-1-enyl]benzamide?
The InChIKey is KSLRBJUXSFSYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11(9-12(2)19)10-18-15(20)8-5-13-3-6-14(7-4-13)16(17)21/h3-8,11-12,19H,9-10H2,1-2H3,(H2,17,21)(H,18,20).
What are the key properties of 4-[3-[(4-hydroxy-2-methylpentyl)amino]-3-oxoprop-1-enyl]benzamide?
4-[3-[(4-hydroxy-2-methylpentyl)amino]-3-oxoprop-1-enyl]benzamide has a molecular weight of 290.36 g/mol, XLogP of 1.32, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(4-hydroxy-2-methylpentyl)amino]-3-oxoprop-1-enyl]benzamide is sourced from PubChem (CID 111595447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).