N-cyclopropyl-3-methyl-4-(methylamino)-N-(3-methylbutyl)benzamide

C17H26N2O — CID 78925719

IUPACN-cyclopropyl-3-methyl-4-(methylamino)-N-(3-methylbutyl)benzamide
SMILESCNc1ccc(C(=O)N(CCC(C)C)C2CC2)cc1C
InChIInChI=1S/C17H26N2O/c1-12(2)9-10-19(15-6-7-15)17(20)14-5-8-16(18-4)13(3)11-14/h5,8,11-12,15,18H,6-7,9-10H2,1-4H3
InChIKeyUFDLPBDXFBSTMY-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.69
Rot. Bonds6

About N-cyclopropyl-3-methyl-4-(methylamino)-N-(3-methylbutyl)benzamide

N-cyclopropyl-3-methyl-4-(methylamino)-N-(3-methylbutyl)benzamide (PubChem CID 78925719) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-cyclopropyl-3-methyl-4-(methylamino)-N-(3-methylbutyl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-methyl-4-(methylamino)-N-(3-methylbutyl)benzamide
PubChem CID78925719
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-cyclopropyl-3-methyl-4-(methylamino)-N-(3-methylbutyl)benzamide
SMILESCNc1ccc(C(=O)N(CCC(C)C)C2CC2)cc1C
InChIInChI=1S/C17H26N2O/c1-12(2)9-10-19(15-6-7-15)17(20)14-5-8-16(18-4)13(3)11-14/h5,8,11-12,15,18H,6-7,9-10H2,1-4H3
InChIKeyUFDLPBDXFBSTMY-UHFFFAOYSA-N
XLogP3.69
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-3-methyl-4-(methylamino)-N-propylbenzamide
CID 63210089
N,3-dimethyl-4-(methylamino)-N-(3-methylbutyl)benzamide
CID 63213774
N-cyclopropyl-3-hydroxy-4-methyl-N-(3-methylbutyl)benzamide
CID 78974536
3-amino-N-cyclopropyl-4-methyl-N-(3-methylbutyl)benzamide
CID 54906107
N,3-dimethyl-4-(methylamino)-N-(2-methylpropyl)benzamide
CID 63210523
N-(2-hydroxypropyl)-N,3-dimethyl-4-(methylamino)benzamide
CID 55162088
N-cyclopropyl-4-(ethylamino)-3-methyl-N-propylbenzamide
CID 63210133
N-cyclopropyl-3-hydroxy-4-iodo-N-(3-methylbutyl)benzamide
CID 104627610
N-butyl-N-cyclopropyl-4-(ethylamino)-3-methylbenzamide
CID 63213660
N-cyclopropyl-2-hydrazinyl-5-methyl-N-(3-methylbutyl)benzamide
CID 78991041
4-(chloromethyl)-N-cyclopropyl-N-(3-methylbutyl)benzamide
CID 54875046
4-(bromomethyl)-N-cyclopropyl-N-(3-methylbutyl)benzamide
CID 102851269

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-methyl-4-(methylamino)-N-(3-methylbutyl)benzamide?
The IUPAC name of N-cyclopropyl-3-methyl-4-(methylamino)-N-(3-methylbutyl)benzamide (CID 78925719) is N-cyclopropyl-3-methyl-4-(methylamino)-N-(3-methylbutyl)benzamide.
What is the SMILES notation for N-cyclopropyl-3-methyl-4-(methylamino)-N-(3-methylbutyl)benzamide?
The canonical SMILES for N-cyclopropyl-3-methyl-4-(methylamino)-N-(3-methylbutyl)benzamide is CNc1ccc(C(=O)N(CCC(C)C)C2CC2)cc1C.
What is the InChIKey of N-cyclopropyl-3-methyl-4-(methylamino)-N-(3-methylbutyl)benzamide?
The InChIKey is UFDLPBDXFBSTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-12(2)9-10-19(15-6-7-15)17(20)14-5-8-16(18-4)13(3)11-14/h5,8,11-12,15,18H,6-7,9-10H2,1-4H3.
What are the key properties of N-cyclopropyl-3-methyl-4-(methylamino)-N-(3-methylbutyl)benzamide?
N-cyclopropyl-3-methyl-4-(methylamino)-N-(3-methylbutyl)benzamide has a molecular weight of 274.41 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-methyl-4-(methylamino)-N-(3-methylbutyl)benzamide is sourced from PubChem (CID 78925719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).