4-amino-N-(3-ethylpentan-2-yl)benzamide

C14H22N2O — CID 55261321

IUPAC4-amino-N-(3-ethylpentan-2-yl)benzamide
SMILESCCC(CC)C(C)NC(=O)c1ccc(N)cc1
InChIInChI=1S/C14H22N2O/c1-4-11(5-2)10(3)16-14(17)12-6-8-13(15)9-7-12/h6-11H,4-5,15H2,1-3H3,(H,16,17)
InChIKeyMJGUIPUCXKTXHB-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.82
Rot. Bonds5

About 4-amino-N-(3-ethylpentan-2-yl)benzamide

4-amino-N-(3-ethylpentan-2-yl)benzamide (PubChem CID 55261321) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 4-amino-N-(3-ethylpentan-2-yl)benzamide.

Molecular Properties

Compound Name4-amino-N-(3-ethylpentan-2-yl)benzamide
PubChem CID55261321
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name4-amino-N-(3-ethylpentan-2-yl)benzamide
SMILESCCC(CC)C(C)NC(=O)c1ccc(N)cc1
InChIInChI=1S/C14H22N2O/c1-4-11(5-2)10(3)16-14(17)12-6-8-13(15)9-7-12/h6-11H,4-5,15H2,1-3H3,(H,16,17)
InChIKeyMJGUIPUCXKTXHB-UHFFFAOYSA-N
XLogP2.82
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-amino-N-(3-ethylpentan-2-yl)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-bromo-N-(3-ethylpentan-2-yl)benzamide
CID 55260581
4-amino-N-butan-2-ylbenzamide
CID 3503917
N-(3-ethylpentan-2-yl)-4-(methylamino)benzamide
CID 63838621
3-amino-N-(3-ethylpentan-2-yl)-4-methylbenzamide
CID 63842494
5-amino-N-(3-ethylpentan-2-yl)pyridine-2-carboxamide
CID 81317024
1-(4-aminophenyl)-3-(3-ethylpentan-2-yl)urea
CID 63836426
4-amino-N-propan-2-ylbenzamide;ethane
CID 144913195
5-amino-N-(3-ethylpentan-2-yl)-2-fluorobenzamide
CID 63843251
4-amino-N-hexan-3-ylbenzamide
CID 62094734
N-(3-ethylpentan-2-yl)-4-hydrazinyl-3-methylbenzamide
CID 63838974
4-amino-N-(2-methylbutyl)benzamide
CID 22242294
4-amino-N-[2-[(4-aminobenzoyl)amino]propyl]benzamide
CID 3100251

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-ethylpentan-2-yl)benzamide?
The IUPAC name of 4-amino-N-(3-ethylpentan-2-yl)benzamide (CID 55261321) is 4-amino-N-(3-ethylpentan-2-yl)benzamide.
What is the SMILES notation for 4-amino-N-(3-ethylpentan-2-yl)benzamide?
The canonical SMILES for 4-amino-N-(3-ethylpentan-2-yl)benzamide is CCC(CC)C(C)NC(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-(3-ethylpentan-2-yl)benzamide?
The InChIKey is MJGUIPUCXKTXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-4-11(5-2)10(3)16-14(17)12-6-8-13(15)9-7-12/h6-11H,4-5,15H2,1-3H3,(H,16,17).
What are the key properties of 4-amino-N-(3-ethylpentan-2-yl)benzamide?
4-amino-N-(3-ethylpentan-2-yl)benzamide has a molecular weight of 234.34 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-ethylpentan-2-yl)benzamide is sourced from PubChem (CID 55261321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).