4-amino-3-[cyclobutylmethyl(ethyl)amino]-N-methylbenzamide

C15H23N3O — CID 107397106

IUPAC4-amino-3-[cyclobutylmethyl(ethyl)amino]-N-methylbenzamide
SMILESCCN(CC1CCC1)c1cc(C(=O)NC)ccc1N
InChIInChI=1S/C15H23N3O/c1-3-18(10-11-5-4-6-11)14-9-12(15(19)17-2)7-8-13(14)16/h7-9,11H,3-6,10,16H2,1-2H3,(H,17,19)
InChIKeyQDTGZFDJKISOHG-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.25
Rot. Bonds5

About 4-amino-3-[cyclobutylmethyl(ethyl)amino]-N-methylbenzamide

4-amino-3-[cyclobutylmethyl(ethyl)amino]-N-methylbenzamide (PubChem CID 107397106) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-amino-3-[cyclobutylmethyl(ethyl)amino]-N-methylbenzamide.

Molecular Properties

Compound Name4-amino-3-[cyclobutylmethyl(ethyl)amino]-N-methylbenzamide
PubChem CID107397106
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name4-amino-3-[cyclobutylmethyl(ethyl)amino]-N-methylbenzamide
SMILESCCN(CC1CCC1)c1cc(C(=O)NC)ccc1N
InChIInChI=1S/C15H23N3O/c1-3-18(10-11-5-4-6-11)14-9-12(15(19)17-2)7-8-13(14)16/h7-9,11H,3-6,10,16H2,1-2H3,(H,17,19)
InChIKeyQDTGZFDJKISOHG-UHFFFAOYSA-N
XLogP2.25
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-amino-3-[cyclopropylmethyl(ethyl)amino]benzoate
CID 82796178
3-amino-4-[cyclopropylmethyl(ethyl)amino]-N-ethylbenzamide
CID 82999772
4-amino-3-(cyclobutylmethylamino)-N-methylbenzamide
CID 63357593
3-amino-4-[cyclopropyl(ethyl)amino]-N-methylbenzamide
CID 82988974
3-amino-4-[butyl(ethyl)amino]-N-methylbenzamide
CID 82989107
3-amino-5-[cyclobutylmethyl(ethyl)amino]-N-ethylthiophene-2-carboxamide
CID 107403346
4-amino-3-[cyclopropyl(3-methylbutyl)amino]-N-methylbenzamide
CID 78930092
4-amino-3-[methoxy(methyl)amino]-N-methylbenzamide
CID 63357385
2-N-(cyclobutylmethyl)-2-N-ethyl-4,5-dimethoxybenzene-1,2-diamine
CID 107397091
3-amino-4-(3-ethylcyclohexyl)oxy-N-methylbenzamide
CID 83000173
3-amino-N-methyl-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzamide
CID 82991957
4-amino-3-[butyl(ethyl)amino]-N-ethylbenzamide
CID 55190897

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[cyclobutylmethyl(ethyl)amino]-N-methylbenzamide?
The IUPAC name of 4-amino-3-[cyclobutylmethyl(ethyl)amino]-N-methylbenzamide (CID 107397106) is 4-amino-3-[cyclobutylmethyl(ethyl)amino]-N-methylbenzamide.
What is the SMILES notation for 4-amino-3-[cyclobutylmethyl(ethyl)amino]-N-methylbenzamide?
The canonical SMILES for 4-amino-3-[cyclobutylmethyl(ethyl)amino]-N-methylbenzamide is CCN(CC1CCC1)c1cc(C(=O)NC)ccc1N.
What is the InChIKey of 4-amino-3-[cyclobutylmethyl(ethyl)amino]-N-methylbenzamide?
The InChIKey is QDTGZFDJKISOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-3-18(10-11-5-4-6-11)14-9-12(15(19)17-2)7-8-13(14)16/h7-9,11H,3-6,10,16H2,1-2H3,(H,17,19).
What are the key properties of 4-amino-3-[cyclobutylmethyl(ethyl)amino]-N-methylbenzamide?
4-amino-3-[cyclobutylmethyl(ethyl)amino]-N-methylbenzamide has a molecular weight of 261.37 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[cyclobutylmethyl(ethyl)amino]-N-methylbenzamide is sourced from PubChem (CID 107397106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).