N-butyl-N-cyclopropyl-4-(ethylamino)-3-methylbenzamide

C17H26N2O — CID 63213660

IUPACN-butyl-N-cyclopropyl-4-(ethylamino)-3-methylbenzamide
SMILESCCCCN(C(=O)c1ccc(NCC)c(C)c1)C1CC1
InChIInChI=1S/C17H26N2O/c1-4-6-11-19(15-8-9-15)17(20)14-7-10-16(18-5-2)13(3)12-14/h7,10,12,15,18H,4-6,8-9,11H2,1-3H3
InChIKeySECLYOGKSUFLLE-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.83
Rot. Bonds7

About N-butyl-N-cyclopropyl-4-(ethylamino)-3-methylbenzamide

N-butyl-N-cyclopropyl-4-(ethylamino)-3-methylbenzamide (PubChem CID 63213660) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-butyl-N-cyclopropyl-4-(ethylamino)-3-methylbenzamide.

Molecular Properties

Compound NameN-butyl-N-cyclopropyl-4-(ethylamino)-3-methylbenzamide
PubChem CID63213660
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-butyl-N-cyclopropyl-4-(ethylamino)-3-methylbenzamide
SMILESCCCCN(C(=O)c1ccc(NCC)c(C)c1)C1CC1
InChIInChI=1S/C17H26N2O/c1-4-6-11-19(15-8-9-15)17(20)14-7-10-16(18-5-2)13(3)12-14/h7,10,12,15,18H,4-6,8-9,11H2,1-3H3
InChIKeySECLYOGKSUFLLE-UHFFFAOYSA-N
XLogP3.83
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-4-(ethylamino)-3-methyl-N-propylbenzamide
CID 63210133
N-cyclopropyl-3-methyl-4-(methylamino)-N-propylbenzamide
CID 63210089
N-cyclopropyl-3-methyl-4-(methylamino)-N-(3-methylbutyl)benzamide
CID 78925719
N-butyl-N-[(3R)-1,1-dioxothiolan-3-yl]-3,4-dimethylbenzamide
CID 7259541
N-butyl-N-cyclopropyl-4-(ethylamino)pyridine-3-carboxamide
CID 81242322
4-(ethylamino)-3-methyl-N-propyl-N-(2,2,2-trifluoroethyl)benzamide
CID 63214137
4-(ethylamino)-3-methyl-N-[(4-methylcyclohexyl)methyl]benzamide
CID 63247733
N-cyclopropyl-N-(2-hydroxyethyl)-3,4-dimethylbenzamide
CID 43576906
2-amino-N-butyl-N-cyclopropylpyridine-4-carboxamide
CID 62161731
4-(ethylamino)-N-(2-hydroxy-3-methoxypropyl)-N,3-dimethylbenzamide
CID 63213865
3-[cyclopropyl-(4-hydroxy-3-methylbenzoyl)amino]propanoic acid
CID 107674734
N-ethyl-4-(ethylamino)-N-(2-hydroxy-2-methylpropyl)-3-methylbenzamide
CID 79386429

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-cyclopropyl-4-(ethylamino)-3-methylbenzamide?
The IUPAC name of N-butyl-N-cyclopropyl-4-(ethylamino)-3-methylbenzamide (CID 63213660) is N-butyl-N-cyclopropyl-4-(ethylamino)-3-methylbenzamide.
What is the SMILES notation for N-butyl-N-cyclopropyl-4-(ethylamino)-3-methylbenzamide?
The canonical SMILES for N-butyl-N-cyclopropyl-4-(ethylamino)-3-methylbenzamide is CCCCN(C(=O)c1ccc(NCC)c(C)c1)C1CC1.
What is the InChIKey of N-butyl-N-cyclopropyl-4-(ethylamino)-3-methylbenzamide?
The InChIKey is SECLYOGKSUFLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-4-6-11-19(15-8-9-15)17(20)14-7-10-16(18-5-2)13(3)12-14/h7,10,12,15,18H,4-6,8-9,11H2,1-3H3.
What are the key properties of N-butyl-N-cyclopropyl-4-(ethylamino)-3-methylbenzamide?
N-butyl-N-cyclopropyl-4-(ethylamino)-3-methylbenzamide has a molecular weight of 274.41 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-cyclopropyl-4-(ethylamino)-3-methylbenzamide is sourced from PubChem (CID 63213660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).