2-amino-N-(3-butoxypropyl)-5-methylbenzamide

C15H24N2O2 — CID 110485990

IUPAC2-amino-N-(3-butoxypropyl)-5-methylbenzamide
SMILESCCCCOCCCNC(=O)c1cc(C)ccc1N
InChIInChI=1S/C15H24N2O2/c1-3-4-9-19-10-5-8-17-15(18)13-11-12(2)6-7-14(13)16/h6-7,11H,3-5,8-10,16H2,1-2H3,(H,17,18)
InChIKeyDELKVSXWMCLMPX-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.51
Rot. Bonds8

About 2-amino-N-(3-butoxypropyl)-5-methylbenzamide

2-amino-N-(3-butoxypropyl)-5-methylbenzamide (PubChem CID 110485990) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-amino-N-(3-butoxypropyl)-5-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-(3-butoxypropyl)-5-methylbenzamide
PubChem CID110485990
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-amino-N-(3-butoxypropyl)-5-methylbenzamide
SMILESCCCCOCCCNC(=O)c1cc(C)ccc1N
InChIInChI=1S/C15H24N2O2/c1-3-4-9-19-10-5-8-17-15(18)13-11-12(2)6-7-14(13)16/h6-7,11H,3-5,8-10,16H2,1-2H3,(H,17,18)
InChIKeyDELKVSXWMCLMPX-UHFFFAOYSA-N
XLogP2.51
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-N-(3-butoxypropyl)-5-methylbenzamide 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-amino-N-(3-butoxypropyl)-5-nitrobenzamide
CID 115597224
2-amino-N-(2-ethoxyethyl)-5-methylbenzamide
CID 62074208
2-amino-N-[2-(2-methoxyethoxy)ethyl]-5-methylbenzamide
CID 62511103
ethyl 4-[(2-amino-5-methylbenzoyl)amino]butanoate
CID 64576957
2-fluoro-4-methyl-N-(3-propoxypropyl)benzamide
CID 82941071
2-amino-5-methyl-N-[2-(3-methylbutoxy)ethyl]benzamide
CID 62508898
2-amino-N-(3-ethylsulfanylpropyl)-5-methylbenzamide
CID 114247737
2-(3-aminoprop-1-ynyl)-N-(2-butoxyethyl)-5-methylbenzamide
CID 81111595
2-amino-N-[4-(diethylamino)butyl]-5-methylbenzamide
CID 110485996
2-amino-N-(3-ethoxypropyl)-5-nitrobenzamide
CID 22467524
N-[3-(2-bromoethoxy)propyl]-5-methyl-2-nitrobenzamide
CID 106307487
4-amino-N-(3-butoxypropyl)-3-nitrobenzamide
CID 27682777

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-butoxypropyl)-5-methylbenzamide?
The IUPAC name of 2-amino-N-(3-butoxypropyl)-5-methylbenzamide (CID 110485990) is 2-amino-N-(3-butoxypropyl)-5-methylbenzamide.
What is the SMILES notation for 2-amino-N-(3-butoxypropyl)-5-methylbenzamide?
The canonical SMILES for 2-amino-N-(3-butoxypropyl)-5-methylbenzamide is CCCCOCCCNC(=O)c1cc(C)ccc1N.
What is the InChIKey of 2-amino-N-(3-butoxypropyl)-5-methylbenzamide?
The InChIKey is DELKVSXWMCLMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-3-4-9-19-10-5-8-17-15(18)13-11-12(2)6-7-14(13)16/h6-7,11H,3-5,8-10,16H2,1-2H3,(H,17,18).
What are the key properties of 2-amino-N-(3-butoxypropyl)-5-methylbenzamide?
2-amino-N-(3-butoxypropyl)-5-methylbenzamide has a molecular weight of 264.37 g/mol, XLogP of 2.51, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-butoxypropyl)-5-methylbenzamide is sourced from PubChem (CID 110485990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).