2-amino-5-methoxy-N-propan-2-yl-N-propylbenzamide

C14H22N2O2 — CID 54878406

IUPAC2-amino-5-methoxy-N-propan-2-yl-N-propylbenzamide
SMILESCCCN(C(=O)c1cc(OC)ccc1N)C(C)C
InChIInChI=1S/C14H22N2O2/c1-5-8-16(10(2)3)14(17)12-9-11(18-4)6-7-13(12)15/h6-7,9-10H,5,8,15H2,1-4H3
InChIKeyNXJONFSDSJITDA-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.54
Rot. Bonds5

About 2-amino-5-methoxy-N-propan-2-yl-N-propylbenzamide

2-amino-5-methoxy-N-propan-2-yl-N-propylbenzamide (PubChem CID 54878406) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-amino-5-methoxy-N-propan-2-yl-N-propylbenzamide.

Molecular Properties

Compound Name2-amino-5-methoxy-N-propan-2-yl-N-propylbenzamide
PubChem CID54878406
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-amino-5-methoxy-N-propan-2-yl-N-propylbenzamide
SMILESCCCN(C(=O)c1cc(OC)ccc1N)C(C)C
InChIInChI=1S/C14H22N2O2/c1-5-8-16(10(2)3)14(17)12-9-11(18-4)6-7-13(12)15/h6-7,9-10H,5,8,15H2,1-4H3
InChIKeyNXJONFSDSJITDA-UHFFFAOYSA-N
XLogP2.54
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-5-methoxy-N-propan-2-yl-N-propylbenzamide 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

2-bromo-N-(2-bromoethyl)-5-methoxy-N-propan-2-ylbenzamide
CID 80666522
2-amino-5-hydroxy-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide
CID 107074136
N-(2-aminoethyl)-2,4-dimethoxy-N-propan-2-ylbenzamide
CID 61349332
2-amino-5-fluoro-N-(2-methoxyethyl)-N-propan-2-ylbenzamide
CID 82949201
2-amino-N-cyclopropyl-5-methoxy-N-(3-methylbutyl)benzamide
CID 61105374
2-amino-5-methoxy-N-propylbenzamide
CID 60954595
2-amino-N-(2-hydroxy-3-methoxypropyl)-5-methoxy-N-methylbenzamide
CID 54994939
2-amino-N-(cyclopropylmethyl)-4-methoxy-N-propan-2-ylbenzamide
CID 115413065
propyl 2-amino-5-methoxybenzoate
CID 60837149
1-(2-amino-5-methoxyphenyl)-3-methylbutan-1-one
CID 83987880
5-methoxy-2-[[propan-2-yl(propyl)amino]methyl]aniline
CID 113305237
2-amino-5-methoxy-N-methyl-N-(1-phenylethyl)benzamide
CID 61112703

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-methoxy-N-propan-2-yl-N-propylbenzamide?
The IUPAC name of 2-amino-5-methoxy-N-propan-2-yl-N-propylbenzamide (CID 54878406) is 2-amino-5-methoxy-N-propan-2-yl-N-propylbenzamide.
What is the SMILES notation for 2-amino-5-methoxy-N-propan-2-yl-N-propylbenzamide?
The canonical SMILES for 2-amino-5-methoxy-N-propan-2-yl-N-propylbenzamide is CCCN(C(=O)c1cc(OC)ccc1N)C(C)C.
What is the InChIKey of 2-amino-5-methoxy-N-propan-2-yl-N-propylbenzamide?
The InChIKey is NXJONFSDSJITDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-5-8-16(10(2)3)14(17)12-9-11(18-4)6-7-13(12)15/h6-7,9-10H,5,8,15H2,1-4H3.
What are the key properties of 2-amino-5-methoxy-N-propan-2-yl-N-propylbenzamide?
2-amino-5-methoxy-N-propan-2-yl-N-propylbenzamide has a molecular weight of 250.34 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-methoxy-N-propan-2-yl-N-propylbenzamide is sourced from PubChem (CID 54878406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).