4-amino-3-[cyclopropyl(3-methylbutyl)amino]-N-methylbenzamide

C16H25N3O — CID 78930092

IUPAC4-amino-3-[cyclopropyl(3-methylbutyl)amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(N)c(N(CCC(C)C)C2CC2)c1
InChIInChI=1S/C16H25N3O/c1-11(2)8-9-19(13-5-6-13)15-10-12(16(20)18-3)4-7-14(15)17/h4,7,10-11,13H,5-6,8-9,17H2,1-3H3,(H,18,20)
InChIKeyQCBARVGNXYMLRM-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.64
Rot. Bonds6

About 4-amino-3-[cyclopropyl(3-methylbutyl)amino]-N-methylbenzamide

4-amino-3-[cyclopropyl(3-methylbutyl)amino]-N-methylbenzamide (PubChem CID 78930092) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 4-amino-3-[cyclopropyl(3-methylbutyl)amino]-N-methylbenzamide.

Molecular Properties

Compound Name4-amino-3-[cyclopropyl(3-methylbutyl)amino]-N-methylbenzamide
PubChem CID78930092
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name4-amino-3-[cyclopropyl(3-methylbutyl)amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(N)c(N(CCC(C)C)C2CC2)c1
InChIInChI=1S/C16H25N3O/c1-11(2)8-9-19(13-5-6-13)15-10-12(16(20)18-3)4-7-14(15)17/h4,7,10-11,13H,5-6,8-9,17H2,1-3H3,(H,18,20)
InChIKeyQCBARVGNXYMLRM-UHFFFAOYSA-N
XLogP2.64
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.64
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-[cyclopropyl(3-methylbutyl)amino]benzoate
CID 82785994
3-amino-4-[cyclopropyl(propyl)amino]-N-methylbenzamide
CID 82989186
3-amino-4-[cyclopropyl(3-methylbutyl)amino]-N,N-dimethylbenzamide
CID 82992948
3-amino-4-[cyclopropyl(ethyl)amino]-N-methylbenzamide
CID 82988974
methyl 4-amino-3-[cyclopropyl(2-methoxyethyl)amino]benzoate
CID 82785230
4-amino-3-[2-methoxyethyl(2-methylpropyl)amino]-N-methylbenzamide
CID 63357003
4-amino-3-[cyclopropyl(propyl)amino]benzamide
CID 55188930
4-amino-3-[cyclopropyl(2-hydroxyethyl)amino]-N,N-dimethylbenzamide
CID 63360938
4-amino-N-ethyl-3-[methyl(3-methylbutyl)amino]benzamide
CID 55190535
1-N-cyclopropyl-1-N-(3-methylbutyl)-4-methylsulfonylbenzene-1,2-diamine
CID 78973880
4-amino-3-[cyclobutylmethyl(ethyl)amino]-N-methylbenzamide
CID 107397106
4-amino-3-[bis(3-methylbutyl)amino]benzoic acid
CID 107870735

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[cyclopropyl(3-methylbutyl)amino]-N-methylbenzamide?
The IUPAC name of 4-amino-3-[cyclopropyl(3-methylbutyl)amino]-N-methylbenzamide (CID 78930092) is 4-amino-3-[cyclopropyl(3-methylbutyl)amino]-N-methylbenzamide.
What is the SMILES notation for 4-amino-3-[cyclopropyl(3-methylbutyl)amino]-N-methylbenzamide?
The canonical SMILES for 4-amino-3-[cyclopropyl(3-methylbutyl)amino]-N-methylbenzamide is CNC(=O)c1ccc(N)c(N(CCC(C)C)C2CC2)c1.
What is the InChIKey of 4-amino-3-[cyclopropyl(3-methylbutyl)amino]-N-methylbenzamide?
The InChIKey is QCBARVGNXYMLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-11(2)8-9-19(13-5-6-13)15-10-12(16(20)18-3)4-7-14(15)17/h4,7,10-11,13H,5-6,8-9,17H2,1-3H3,(H,18,20).
What are the key properties of 4-amino-3-[cyclopropyl(3-methylbutyl)amino]-N-methylbenzamide?
4-amino-3-[cyclopropyl(3-methylbutyl)amino]-N-methylbenzamide has a molecular weight of 275.40 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[cyclopropyl(3-methylbutyl)amino]-N-methylbenzamide is sourced from PubChem (CID 78930092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).