3-amino-4-[cyclopropyl(3-methylbutyl)amino]-N,N-dimethylbenzamide

C17H27N3O — CID 82992948

IUPAC3-amino-4-[cyclopropyl(3-methylbutyl)amino]-N,N-dimethylbenzamide
SMILESCC(C)CCN(c1ccc(C(=O)N(C)C)cc1N)C1CC1
InChIInChI=1S/C17H27N3O/c1-12(2)9-10-20(14-6-7-14)16-8-5-13(11-15(16)18)17(21)19(3)4/h5,8,11-12,14H,6-7,9-10,18H2,1-4H3
InChIKeyIKFRWMFBJABGOT-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.99
Rot. Bonds6

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

3-amino-4-[cyclopropyl(3-methylbutyl)amino]-N,N-dimethylbenzamide (PubChem CID 82992948) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 3-amino-4-[cyclopropyl(3-methylbutyl)amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-amino-4-[cyclopropyl(3-methylbutyl)amino]-N,N-dimethylbenzamide
PubChem CID82992948
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name3-amino-4-[cyclopropyl(3-methylbutyl)amino]-N,N-dimethylbenzamide
SMILESCC(C)CCN(c1ccc(C(=O)N(C)C)cc1N)C1CC1
InChIInChI=1S/C17H27N3O/c1-12(2)9-10-20(14-6-7-14)16-8-5-13(11-15(16)18)17(21)19(3)4/h5,8,11-12,14H,6-7,9-10,18H2,1-4H3
InChIKeyIKFRWMFBJABGOT-UHFFFAOYSA-N
XLogP2.99
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N-cyclopropyl-1-N-(3-methylbutyl)-4-methylsulfonylbenzene-1,2-diamine
CID 78973880
4-amino-3-[cyclopropyl(2-hydroxyethyl)amino]-N,N-dimethylbenzamide
CID 63360938
4-amino-3-[cyclopropyl(3-methylbutyl)amino]-N-methylbenzamide
CID 78930092
methyl 4-amino-3-[cyclopropyl(3-methylbutyl)amino]benzoate
CID 82785994
3-amino-N-cyclopropyl-4-methyl-N-(3-methylbutyl)benzamide
CID 54906107
3-amino-4-[cyclopropyl(propyl)amino]-N-methylbenzamide
CID 82989186
[3-amino-4-[cyclohexyl(3-methylbutyl)amino]phenyl] 2-methylpentanoate
CID 174887097
3-bromo-4-[cyclopropyl(3-methylbutyl)amino]benzenecarbothioamide
CID 82804547
4-[cyclopropyl(3-methylbutyl)amino]-3-fluorobenzenecarbothioamide
CID 78974421
ethyl 3-amino-4-[cyclopropyl(2-hydroxyethyl)amino]benzoate
CID 54995082
4-amino-N-cyclopropyl-3-methoxy-N-(3-methylbutyl)benzamide
CID 104782560
4-amino-N,N-dimethyl-3-[methyl(2-methylpropyl)amino]benzamide
CID 63360739

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[cyclopropyl(3-methylbutyl)amino]-N,N-dimethylbenzamide?
The IUPAC name of 3-amino-4-[cyclopropyl(3-methylbutyl)amino]-N,N-dimethylbenzamide (CID 82992948) is 3-amino-4-[cyclopropyl(3-methylbutyl)amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-amino-4-[cyclopropyl(3-methylbutyl)amino]-N,N-dimethylbenzamide?
The canonical SMILES for 3-amino-4-[cyclopropyl(3-methylbutyl)amino]-N,N-dimethylbenzamide is CC(C)CCN(c1ccc(C(=O)N(C)C)cc1N)C1CC1.
What is the InChIKey of 3-amino-4-[cyclopropyl(3-methylbutyl)amino]-N,N-dimethylbenzamide?
The InChIKey is IKFRWMFBJABGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-12(2)9-10-20(14-6-7-14)16-8-5-13(11-15(16)18)17(21)19(3)4/h5,8,11-12,14H,6-7,9-10,18H2,1-4H3.
What are the key properties of 3-amino-4-[cyclopropyl(3-methylbutyl)amino]-N,N-dimethylbenzamide?
3-amino-4-[cyclopropyl(3-methylbutyl)amino]-N,N-dimethylbenzamide has a molecular weight of 289.42 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[cyclopropyl(3-methylbutyl)amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 82992948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).