N-[(Z)-3-amino-1-(4-hydroxyphenyl)-3-oxoprop-1-en-2-yl]-8-methylnonanamide

C19H28N2O3 — CID 127049818

IUPACN-[(Z)-3-amino-1-(4-hydroxyphenyl)-3-oxoprop-1-en-2-yl]-8-methylnonanamide
SMILESCC(C)CCCCCCC(=O)N/C(=C\c1ccc(O)cc1)C(N)=O
InChIInChI=1S/C19H28N2O3/c1-14(2)7-5-3-4-6-8-18(23)21-17(19(20)24)13-15-9-11-16(22)12-10-15/h9-14,22H,3-8H2,1-2H3,(H2,20,24)(H,21,23)/b17-13-
InChIKeyUTRSSLHZNOOERQ-LGMDPLHJSA-N
MW332.44 g/mol
LogP3.33
Rot. Bonds10

About N-[(Z)-3-amino-1-(4-hydroxyphenyl)-3-oxoprop-1-en-2-yl]-8-methylnonanamide

N-[(Z)-3-amino-1-(4-hydroxyphenyl)-3-oxoprop-1-en-2-yl]-8-methylnonanamide (PubChem CID 127049818) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is N-[(Z)-3-amino-1-(4-hydroxyphenyl)-3-oxoprop-1-en-2-yl]-8-methylnonanamide.

Molecular Properties

Compound NameN-[(Z)-3-amino-1-(4-hydroxyphenyl)-3-oxoprop-1-en-2-yl]-8-methylnonanamide
PubChem CID127049818
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC NameN-[(Z)-3-amino-1-(4-hydroxyphenyl)-3-oxoprop-1-en-2-yl]-8-methylnonanamide
SMILESCC(C)CCCCCCC(=O)N/C(=C\c1ccc(O)cc1)C(N)=O
InChIInChI=1S/C19H28N2O3/c1-14(2)7-5-3-4-6-8-18(23)21-17(19(20)24)13-15-9-11-16(22)12-10-15/h9-14,22H,3-8H2,1-2H3,(H2,20,24)(H,21,23)/b17-13-
InChIKeyUTRSSLHZNOOERQ-LGMDPLHJSA-N
XLogP3.33
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 53.33
H-Bond Donors ≤ 53
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 N-[(Z)-3-amino-1-(4-hydroxyphenyl)-3-oxoprop-1-en-2-yl]-8-methylnonanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-amino-1-(4-hydroxyphenyl)-3-oxoprop-1-en-2-yl]-8-methylnonanamide?
The IUPAC name of N-[(Z)-3-amino-1-(4-hydroxyphenyl)-3-oxoprop-1-en-2-yl]-8-methylnonanamide (CID 127049818) is N-[(Z)-3-amino-1-(4-hydroxyphenyl)-3-oxoprop-1-en-2-yl]-8-methylnonanamide.
What is the SMILES notation for N-[(Z)-3-amino-1-(4-hydroxyphenyl)-3-oxoprop-1-en-2-yl]-8-methylnonanamide?
The canonical SMILES for N-[(Z)-3-amino-1-(4-hydroxyphenyl)-3-oxoprop-1-en-2-yl]-8-methylnonanamide is CC(C)CCCCCCC(=O)N/C(=C\c1ccc(O)cc1)C(N)=O.
What is the InChIKey of N-[(Z)-3-amino-1-(4-hydroxyphenyl)-3-oxoprop-1-en-2-yl]-8-methylnonanamide?
The InChIKey is UTRSSLHZNOOERQ-LGMDPLHJSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-14(2)7-5-3-4-6-8-18(23)21-17(19(20)24)13-15-9-11-16(22)12-10-15/h9-14,22H,3-8H2,1-2H3,(H2,20,24)(H,21,23)/b17-13-.
What are the key properties of N-[(Z)-3-amino-1-(4-hydroxyphenyl)-3-oxoprop-1-en-2-yl]-8-methylnonanamide?
N-[(Z)-3-amino-1-(4-hydroxyphenyl)-3-oxoprop-1-en-2-yl]-8-methylnonanamide has a molecular weight of 332.44 g/mol, XLogP of 3.33, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-amino-1-(4-hydroxyphenyl)-3-oxoprop-1-en-2-yl]-8-methylnonanamide is sourced from PubChem (CID 127049818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).