4-butoxy-N-[N'-(4-phenylbutyl)carbamimidoyl]benzamide

C22H29N3O2 — CID 10316911

IUPAC4-butoxy-N-[N'-(4-phenylbutyl)carbamimidoyl]benzamide
SMILESCCCCOc1ccc(C(=O)N/C(N)=N/CCCCc2ccccc2)cc1
InChIInChI=1S/C22H29N3O2/c1-2-3-17-27-20-14-12-19(13-15-20)21(26)25-22(23)24-16-8-7-11-18-9-5-4-6-10-18/h4-6,9-10,12-15H,2-3,7-8,11,16-17H2,1H3,(H3,23,24,25,26)
InChIKeyGRLGZDKCJLINRL-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.93
Rot. Bonds10

About 4-butoxy-N-[N'-(4-phenylbutyl)carbamimidoyl]benzamide

4-butoxy-N-[N'-(4-phenylbutyl)carbamimidoyl]benzamide (PubChem CID 10316911) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 4-butoxy-N-[N'-(4-phenylbutyl)carbamimidoyl]benzamide.

Molecular Properties

Compound Name4-butoxy-N-[N'-(4-phenylbutyl)carbamimidoyl]benzamide
PubChem CID10316911
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name4-butoxy-N-[N'-(4-phenylbutyl)carbamimidoyl]benzamide
SMILESCCCCOc1ccc(C(=O)N/C(N)=N/CCCCc2ccccc2)cc1
InChIInChI=1S/C22H29N3O2/c1-2-3-17-27-20-14-12-19(13-15-20)21(26)25-22(23)24-16-8-7-11-18-9-5-4-6-10-18/h4-6,9-10,12-15H,2-3,7-8,11,16-17H2,1H3,(H3,23,24,25,26)
InChIKeyGRLGZDKCJLINRL-UHFFFAOYSA-N
XLogP3.93
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 4-butoxy-N-[N'-(4-phenylbutyl)carbamimidoyl]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

4-(4-((Phenethylamino)methyl)phenoxy)benzamide
CID 44434950
1-[3-(2-Amino-4,6-dihydroxy-pyrimidin-5-ylmethyl)-4-ethoxy-phenyl]-ethanone
CID 713816
4-methoxy-N-(3-phenylpropyl)benzamide
CID 1744311
N-(4,5-Dihydro-2-thiazolyl)-4-(1-methylethoxy)benzamide
CID 802126
N-cyclohexyl-N'-(4-methoxybenzoyl)-N-methylthiourea
CID 833658
4-butoxy-N-(2-phenylethyl)benzamide
CID 1735927
N,N'-1,2-ethanediylbis(4-ethoxybenzamide)
CID 2164977
N-{[1-(dimethylamino)cyclohexyl]methyl}-4-propoxybenzamide
CID 2558843
N-[3-(Diethylamino)propyl]-4-ethoxybenzamide
CID 559920
N-(dibenzylcarbamothioyl)-4-methoxybenzamide
CID 1318054
4-butoxy-N-methylbenzamide
CID 2232178
N-methyl-4-{4-[(methylamino)carbonyl]phenoxy}benzamide
CID 3241238

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-[N'-(4-phenylbutyl)carbamimidoyl]benzamide?
The IUPAC name of 4-butoxy-N-[N'-(4-phenylbutyl)carbamimidoyl]benzamide (CID 10316911) is 4-butoxy-N-[N'-(4-phenylbutyl)carbamimidoyl]benzamide.
What is the SMILES notation for 4-butoxy-N-[N'-(4-phenylbutyl)carbamimidoyl]benzamide?
The canonical SMILES for 4-butoxy-N-[N'-(4-phenylbutyl)carbamimidoyl]benzamide is CCCCOc1ccc(C(=O)N/C(N)=N/CCCCc2ccccc2)cc1.
What is the InChIKey of 4-butoxy-N-[N'-(4-phenylbutyl)carbamimidoyl]benzamide?
The InChIKey is GRLGZDKCJLINRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-2-3-17-27-20-14-12-19(13-15-20)21(26)25-22(23)24-16-8-7-11-18-9-5-4-6-10-18/h4-6,9-10,12-15H,2-3,7-8,11,16-17H2,1H3,(H3,23,24,25,26).
What are the key properties of 4-butoxy-N-[N'-(4-phenylbutyl)carbamimidoyl]benzamide?
4-butoxy-N-[N'-(4-phenylbutyl)carbamimidoyl]benzamide has a molecular weight of 367.49 g/mol, XLogP of 3.93, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-[N'-(4-phenylbutyl)carbamimidoyl]benzamide is sourced from PubChem (CID 10316911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).