2-[(2R)-2-amino-3-hydroxypropyl]-N-butylbenzamide

C14H22N2O2 — CID 18660323

IUPAC2-[(2R)-2-amino-3-hydroxypropyl]-N-butylbenzamide
SMILESCCCCNC(=O)c1ccccc1C[C@@H](N)CO
InChIInChI=1S/C14H22N2O2/c1-2-3-8-16-14(18)13-7-5-4-6-11(13)9-12(15)10-17/h4-7,12,17H,2-3,8-10,15H2,1H3,(H,16,18)/t12-/m1/s1
InChIKeyOFHXFNVNCIANMP-GFCCVEGCSA-N
MW250.34 g/mol
LogP1.08
Rot. Bonds7

About 2-[(2R)-2-amino-3-hydroxypropyl]-N-butylbenzamide

2-[(2R)-2-amino-3-hydroxypropyl]-N-butylbenzamide (PubChem CID 18660323) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-[(2R)-2-amino-3-hydroxypropyl]-N-butylbenzamide.

Molecular Properties

Compound Name2-[(2R)-2-amino-3-hydroxypropyl]-N-butylbenzamide
PubChem CID18660323
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-[(2R)-2-amino-3-hydroxypropyl]-N-butylbenzamide
SMILESCCCCNC(=O)c1ccccc1C[C@@H](N)CO
InChIInChI=1S/C14H22N2O2/c1-2-3-8-16-14(18)13-7-5-4-6-11(13)9-12(15)10-17/h4-7,12,17H,2-3,8-10,15H2,1H3,(H,16,18)/t12-/m1/s1
InChIKeyOFHXFNVNCIANMP-GFCCVEGCSA-N
XLogP1.08
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(2R)-2-amino-3-hydroxypropyl]-N-butylbenzamide 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 2-[(2R)-2-amino-3-hydroxypropyl]-N-butylbenzamide?
The IUPAC name of 2-[(2R)-2-amino-3-hydroxypropyl]-N-butylbenzamide (CID 18660323) is 2-[(2R)-2-amino-3-hydroxypropyl]-N-butylbenzamide.
What is the SMILES notation for 2-[(2R)-2-amino-3-hydroxypropyl]-N-butylbenzamide?
The canonical SMILES for 2-[(2R)-2-amino-3-hydroxypropyl]-N-butylbenzamide is CCCCNC(=O)c1ccccc1C[C@@H](N)CO.
What is the InChIKey of 2-[(2R)-2-amino-3-hydroxypropyl]-N-butylbenzamide?
The InChIKey is OFHXFNVNCIANMP-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-2-3-8-16-14(18)13-7-5-4-6-11(13)9-12(15)10-17/h4-7,12,17H,2-3,8-10,15H2,1H3,(H,16,18)/t12-/m1/s1.
What are the key properties of 2-[(2R)-2-amino-3-hydroxypropyl]-N-butylbenzamide?
2-[(2R)-2-amino-3-hydroxypropyl]-N-butylbenzamide has a molecular weight of 250.34 g/mol, XLogP of 1.08, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-amino-3-hydroxypropyl]-N-butylbenzamide is sourced from PubChem (CID 18660323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).