(E)-3-(4-acetamidophenyl)-N-heptan-2-ylprop-2-enamide

C18H26N2O2 — CID 46571095

IUPAC(E)-3-(4-acetamidophenyl)-N-heptan-2-ylprop-2-enamide
SMILESCCCCCC(C)NC(=O)/C=C/c1ccc(NC(C)=O)cc1
InChIInChI=1S/C18H26N2O2/c1-4-5-6-7-14(2)19-18(22)13-10-16-8-11-17(12-9-16)20-15(3)21/h8-14H,4-7H2,1-3H3,(H,19,22)(H,20,21)/b13-10+
InChIKeyPPPGCQGVDDQCJO-JLHYYAGUSA-N
MW302.42 g/mol
LogP3.74
Rot. Bonds8

About (E)-3-(4-acetamidophenyl)-N-heptan-2-ylprop-2-enamide

(E)-3-(4-acetamidophenyl)-N-heptan-2-ylprop-2-enamide (PubChem CID 46571095) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is (E)-3-(4-acetamidophenyl)-N-heptan-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-acetamidophenyl)-N-heptan-2-ylprop-2-enamide
PubChem CID46571095
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name(E)-3-(4-acetamidophenyl)-N-heptan-2-ylprop-2-enamide
SMILESCCCCCC(C)NC(=O)/C=C/c1ccc(NC(C)=O)cc1
InChIInChI=1S/C18H26N2O2/c1-4-5-6-7-14(2)19-18(22)13-10-16-8-11-17(12-9-16)20-15(3)21/h8-14H,4-7H2,1-3H3,(H,19,22)(H,20,21)/b13-10+
InChIKeyPPPGCQGVDDQCJO-JLHYYAGUSA-N
XLogP3.74
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-3-(4-acetamidophenyl)-N-heptan-2-ylprop-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-(4-aminophenyl)-N-heptan-2-ylprop-2-enamide
CID 115342931
(E)-3-(4-acetamidophenyl)-N-(1-hydroxypropan-2-yl)prop-2-enamide
CID 78857373
3-[4-(hexan-2-ylcarbamoylamino)phenyl]prop-2-enoic acid
CID 76937016
(Z)-N,N'-di(heptan-2-yl)but-2-enediamide
CID 87996571
(E)-3-(3-aminophenyl)-N-hexan-2-ylprop-2-enamide
CID 113290920
N-[4-[(heptan-2-ylamino)methyl]phenyl]acetamide
CID 43399864
(E)-3-(4-acetamidophenyl)-N-methylprop-2-enamide
CID 47142125
(E)-3-(4-acetamidophenyl)-N-(3-butoxypropyl)prop-2-enamide
CID 31255727
5-[[(E)-3-(4-ethylphenyl)prop-2-enoyl]amino]hexanoic acid
CID 82845058
N-heptan-2-yl-3-(5-methylfuran-2-yl)prop-2-enamide
CID 5059755
N-(4-acetamidophenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 51160433
(Z)-3-(4-acetamidophenyl)-N-(1-propylpyrazol-4-yl)prop-2-enamide
CID 97359500

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-acetamidophenyl)-N-heptan-2-ylprop-2-enamide?
The IUPAC name of (E)-3-(4-acetamidophenyl)-N-heptan-2-ylprop-2-enamide (CID 46571095) is (E)-3-(4-acetamidophenyl)-N-heptan-2-ylprop-2-enamide.
What is the SMILES notation for (E)-3-(4-acetamidophenyl)-N-heptan-2-ylprop-2-enamide?
The canonical SMILES for (E)-3-(4-acetamidophenyl)-N-heptan-2-ylprop-2-enamide is CCCCCC(C)NC(=O)/C=C/c1ccc(NC(C)=O)cc1.
What is the InChIKey of (E)-3-(4-acetamidophenyl)-N-heptan-2-ylprop-2-enamide?
The InChIKey is PPPGCQGVDDQCJO-JLHYYAGUSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-4-5-6-7-14(2)19-18(22)13-10-16-8-11-17(12-9-16)20-15(3)21/h8-14H,4-7H2,1-3H3,(H,19,22)(H,20,21)/b13-10+.
What are the key properties of (E)-3-(4-acetamidophenyl)-N-heptan-2-ylprop-2-enamide?
(E)-3-(4-acetamidophenyl)-N-heptan-2-ylprop-2-enamide has a molecular weight of 302.42 g/mol, XLogP of 3.74, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-acetamidophenyl)-N-heptan-2-ylprop-2-enamide is sourced from PubChem (CID 46571095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).