N-ethyl-5-methyl-N-(2-methylpropyl)-2-(propylamino)benzamide

C17H28N2O — CID 62509850

IUPACN-ethyl-5-methyl-N-(2-methylpropyl)-2-(propylamino)benzamide
SMILESCCCNc1ccc(C)cc1C(=O)N(CC)CC(C)C
InChIInChI=1S/C17H28N2O/c1-6-10-18-16-9-8-14(5)11-15(16)17(20)19(7-2)12-13(3)4/h8-9,11,13,18H,6-7,10,12H2,1-5H3
InChIKeyKOSGMAGVPWEDRH-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.94
Rot. Bonds7

About N-ethyl-5-methyl-N-(2-methylpropyl)-2-(propylamino)benzamide

N-ethyl-5-methyl-N-(2-methylpropyl)-2-(propylamino)benzamide (PubChem CID 62509850) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-ethyl-5-methyl-N-(2-methylpropyl)-2-(propylamino)benzamide.

Molecular Properties

Compound NameN-ethyl-5-methyl-N-(2-methylpropyl)-2-(propylamino)benzamide
PubChem CID62509850
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-ethyl-5-methyl-N-(2-methylpropyl)-2-(propylamino)benzamide
SMILESCCCNc1ccc(C)cc1C(=O)N(CC)CC(C)C
InChIInChI=1S/C17H28N2O/c1-6-10-18-16-9-8-14(5)11-15(16)17(20)19(7-2)12-13(3)4/h8-9,11,13,18H,6-7,10,12H2,1-5H3
InChIKeyKOSGMAGVPWEDRH-UHFFFAOYSA-N
XLogP3.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,5-dimethyl-N-(2-methylpropyl)-2-(propylamino)benzamide
CID 55083322
N-ethyl-5-methyl-2-(methylamino)-N-(2-methylpropyl)benzamide
CID 62509677
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-methyl-2-(propylamino)benzamide
CID 107486049
N-ethyl-N-(2-ethylbutyl)-5-methyl-2-(methylamino)benzamide
CID 62511329
N,N-diethyl-2-(propylamino)benzamide
CID 62171276
5-methyl-N-(3-methylbutan-2-yl)-2-(propylamino)benzamide
CID 55083225
N,N-diethyl-2,5-dimethylbenzamide
CID 15621070
5-chloro-N-methyl-N-(2-methylpropyl)-2-(propylamino)benzamide
CID 62170333
N-[3-(dimethylamino)propyl]-5-methyl-2-(propylamino)benzamide
CID 62510706
N-(cyclopropylmethyl)-N,5-dimethyl-2-(propylamino)benzamide
CID 62509873
2-(ethylamino)-5-methyl-N-propylbenzamide
CID 62509654
5-methyl-2-(3-methylbutylamino)benzoic acid
CID 18802499

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methyl-N-(2-methylpropyl)-2-(propylamino)benzamide?
The IUPAC name of N-ethyl-5-methyl-N-(2-methylpropyl)-2-(propylamino)benzamide (CID 62509850) is N-ethyl-5-methyl-N-(2-methylpropyl)-2-(propylamino)benzamide.
What is the SMILES notation for N-ethyl-5-methyl-N-(2-methylpropyl)-2-(propylamino)benzamide?
The canonical SMILES for N-ethyl-5-methyl-N-(2-methylpropyl)-2-(propylamino)benzamide is CCCNc1ccc(C)cc1C(=O)N(CC)CC(C)C.
What is the InChIKey of N-ethyl-5-methyl-N-(2-methylpropyl)-2-(propylamino)benzamide?
The InChIKey is KOSGMAGVPWEDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-6-10-18-16-9-8-14(5)11-15(16)17(20)19(7-2)12-13(3)4/h8-9,11,13,18H,6-7,10,12H2,1-5H3.
What are the key properties of N-ethyl-5-methyl-N-(2-methylpropyl)-2-(propylamino)benzamide?
N-ethyl-5-methyl-N-(2-methylpropyl)-2-(propylamino)benzamide has a molecular weight of 276.42 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methyl-N-(2-methylpropyl)-2-(propylamino)benzamide is sourced from PubChem (CID 62509850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).