(E)-N-[5-[benzyl(ethyl)amino]pentyl]-3-(4-nitrophenyl)prop-2-enamide

C23H29N3O3 — CID 14985693

IUPAC(E)-N-[5-[benzyl(ethyl)amino]pentyl]-3-(4-nitrophenyl)prop-2-enamide
SMILESCCN(CCCCCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)Cc1ccccc1
InChIInChI=1S/C23H29N3O3/c1-2-25(19-21-9-5-3-6-10-21)18-8-4-7-17-24-23(27)16-13-20-11-14-22(15-12-20)26(28)29/h3,5-6,9-16H,2,4,7-8,17-19H2,1H3,(H,24,27)/b16-13+
InChIKeyWRSCNTXTGKDBKY-DTQAZKPQSA-N
MW395.50 g/mol
LogP4.42
Rot. Bonds12

About (E)-N-[5-[benzyl(ethyl)amino]pentyl]-3-(4-nitrophenyl)prop-2-enamide

(E)-N-[5-[benzyl(ethyl)amino]pentyl]-3-(4-nitrophenyl)prop-2-enamide (PubChem CID 14985693) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is (E)-N-[5-[benzyl(ethyl)amino]pentyl]-3-(4-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[5-[benzyl(ethyl)amino]pentyl]-3-(4-nitrophenyl)prop-2-enamide
PubChem CID14985693
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name(E)-N-[5-[benzyl(ethyl)amino]pentyl]-3-(4-nitrophenyl)prop-2-enamide
SMILESCCN(CCCCCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)Cc1ccccc1
InChIInChI=1S/C23H29N3O3/c1-2-25(19-21-9-5-3-6-10-21)18-8-4-7-17-24-23(27)16-13-20-11-14-22(15-12-20)26(28)29/h3,5-6,9-16H,2,4,7-8,17-19H2,1H3,(H,24,27)/b16-13+
InChIKeyWRSCNTXTGKDBKY-DTQAZKPQSA-N
XLogP4.42
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (E)-N-[5-[benzyl(ethyl)amino]pentyl]-3-(4-nitrophenyl)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

Frequently Asked Questions

What is the IUPAC name of (E)-N-[5-[benzyl(ethyl)amino]pentyl]-3-(4-nitrophenyl)prop-2-enamide?
The IUPAC name of (E)-N-[5-[benzyl(ethyl)amino]pentyl]-3-(4-nitrophenyl)prop-2-enamide (CID 14985693) is (E)-N-[5-[benzyl(ethyl)amino]pentyl]-3-(4-nitrophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[5-[benzyl(ethyl)amino]pentyl]-3-(4-nitrophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[5-[benzyl(ethyl)amino]pentyl]-3-(4-nitrophenyl)prop-2-enamide is CCN(CCCCCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)Cc1ccccc1.
What is the InChIKey of (E)-N-[5-[benzyl(ethyl)amino]pentyl]-3-(4-nitrophenyl)prop-2-enamide?
The InChIKey is WRSCNTXTGKDBKY-DTQAZKPQSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-2-25(19-21-9-5-3-6-10-21)18-8-4-7-17-24-23(27)16-13-20-11-14-22(15-12-20)26(28)29/h3,5-6,9-16H,2,4,7-8,17-19H2,1H3,(H,24,27)/b16-13+.
What are the key properties of (E)-N-[5-[benzyl(ethyl)amino]pentyl]-3-(4-nitrophenyl)prop-2-enamide?
(E)-N-[5-[benzyl(ethyl)amino]pentyl]-3-(4-nitrophenyl)prop-2-enamide has a molecular weight of 395.50 g/mol, XLogP of 4.42, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[5-[benzyl(ethyl)amino]pentyl]-3-(4-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 14985693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).