4-amino-3-(cyclobutylmethylamino)-N-methylbenzamide

C13H19N3O — CID 63357593

IUPAC4-amino-3-(cyclobutylmethylamino)-N-methylbenzamide
SMILESCNC(=O)c1ccc(N)c(NCC2CCC2)c1
InChIInChI=1S/C13H19N3O/c1-15-13(17)10-5-6-11(14)12(7-10)16-8-9-3-2-4-9/h5-7,9,16H,2-4,8,14H2,1H3,(H,15,17)
InChIKeyDXYUGHHIZOZULH-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.84
Rot. Bonds4

About 4-amino-3-(cyclobutylmethylamino)-N-methylbenzamide

4-amino-3-(cyclobutylmethylamino)-N-methylbenzamide (PubChem CID 63357593) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-amino-3-(cyclobutylmethylamino)-N-methylbenzamide.

Molecular Properties

Compound Name4-amino-3-(cyclobutylmethylamino)-N-methylbenzamide
PubChem CID63357593
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name4-amino-3-(cyclobutylmethylamino)-N-methylbenzamide
SMILESCNC(=O)c1ccc(N)c(NCC2CCC2)c1
InChIInChI=1S/C13H19N3O/c1-15-13(17)10-5-6-11(14)12(7-10)16-8-9-3-2-4-9/h5-7,9,16H,2-4,8,14H2,1H3,(H,15,17)
InChIKeyDXYUGHHIZOZULH-UHFFFAOYSA-N
XLogP1.84
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-[(1-ethylpiperidin-4-yl)methylamino]-N-methylbenzamide
CID 63357311
4-amino-N-methyl-3-(oxolan-2-ylmethylamino)benzamide
CID 63356726
4-amino-3-(cyclohexylmethylamino)benzoic acid
CID 82785208
4-amino-N-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]benzamide
CID 63357141
4-amino-N-methyl-3-[2-(oxolan-2-yl)ethylamino]benzamide
CID 63357269
4-amino-3-[(4-ethylcyclohexyl)methylamino]benzoic acid
CID 82784863
4-amino-3-[(2-methoxy-2-methylpropyl)amino]-N-methylbenzamide
CID 104758803
3-amino-N-methyl-4-[(2-methylcyclopentyl)methylamino]benzamide
CID 107416557
methyl 3-amino-4-(cyclobutylmethylamino)benzoate
CID 61307905
3-amino-4-(2-cyclopropylethylamino)-N-methylbenzamide
CID 83000366
4-amino-3-[(1-hydroxycyclohexyl)methylamino]-N-methylbenzamide
CID 65102655
4-amino-3-[(4-ethylcyclohexyl)amino]-N-methylbenzamide
CID 63357473

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(cyclobutylmethylamino)-N-methylbenzamide?
The IUPAC name of 4-amino-3-(cyclobutylmethylamino)-N-methylbenzamide (CID 63357593) is 4-amino-3-(cyclobutylmethylamino)-N-methylbenzamide.
What is the SMILES notation for 4-amino-3-(cyclobutylmethylamino)-N-methylbenzamide?
The canonical SMILES for 4-amino-3-(cyclobutylmethylamino)-N-methylbenzamide is CNC(=O)c1ccc(N)c(NCC2CCC2)c1.
What is the InChIKey of 4-amino-3-(cyclobutylmethylamino)-N-methylbenzamide?
The InChIKey is DXYUGHHIZOZULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-15-13(17)10-5-6-11(14)12(7-10)16-8-9-3-2-4-9/h5-7,9,16H,2-4,8,14H2,1H3,(H,15,17).
What are the key properties of 4-amino-3-(cyclobutylmethylamino)-N-methylbenzamide?
4-amino-3-(cyclobutylmethylamino)-N-methylbenzamide has a molecular weight of 233.31 g/mol, XLogP of 1.84, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(cyclobutylmethylamino)-N-methylbenzamide is sourced from PubChem (CID 63357593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).