N-(2-amino-2-ethylbutyl)-4-[methyl(propyl)amino]benzamide

C17H29N3O — CID 119644057

IUPACN-(2-amino-2-ethylbutyl)-4-[methyl(propyl)amino]benzamide
SMILESCCCN(C)c1ccc(C(=O)NCC(N)(CC)CC)cc1
InChIInChI=1S/C17H29N3O/c1-5-12-20(4)15-10-8-14(9-11-15)16(21)19-13-17(18,6-2)7-3/h8-11H,5-7,12-13,18H2,1-4H3,(H,19,21)
InChIKeyGVKLURKTVGYDIK-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.78
Rot. Bonds8

About N-(2-amino-2-ethylbutyl)-4-[methyl(propyl)amino]benzamide

N-(2-amino-2-ethylbutyl)-4-[methyl(propyl)amino]benzamide (PubChem CID 119644057) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-4-[methyl(propyl)amino]benzamide.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-4-[methyl(propyl)amino]benzamide
PubChem CID119644057
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN-(2-amino-2-ethylbutyl)-4-[methyl(propyl)amino]benzamide
SMILESCCCN(C)c1ccc(C(=O)NCC(N)(CC)CC)cc1
InChIInChI=1S/C17H29N3O/c1-5-12-20(4)15-10-8-14(9-11-15)16(21)19-13-17(18,6-2)7-3/h8-11H,5-7,12-13,18H2,1-4H3,(H,19,21)
InChIKeyGVKLURKTVGYDIK-UHFFFAOYSA-N
XLogP2.78
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-ethylbutyl)-4-(dimethylamino)benzamide
CID 115305742
N-(2-amino-2-methylpropyl)-4-[methyl(propyl)amino]benzamide;dihydrochloride
CID 119630817
N-(2-amino-2-ethylbutyl)pyridine-4-carboxamide
CID 81482515
N-[3-(methylamino)propyl]-4-[methyl(propyl)amino]benzamide;dihydrochloride
CID 119434376
N-(2-amino-2-ethylbutyl)-4-butoxybenzamide;hydrochloride
CID 119640769
N-(2-amino-2-ethylbutyl)-5-[4-(dimethylamino)phenyl]pyridine-3-carboxamide
CID 119644073
N-(2-amino-2-ethylbutyl)-3,4-dimethylbenzamide
CID 81484563
N-(2-amino-2-ethylbutyl)-4-propan-2-ylsulfanylbenzamide
CID 119643680
N-[[2-(hydroxymethyl)phenyl]methyl]-4-[methyl(propyl)amino]benzamide
CID 110909622
N-(2-amino-2-ethylbutyl)naphthalene-2-carboxamide
CID 81485257
N-(2-amino-2-ethylbutyl)-6-methylpyridine-3-carboxamide;dihydrochloride
CID 119641996
4-[methyl(propyl)amino]-N-(3-piperazin-1-ylpropyl)benzamide;dihydrochloride
CID 119394671

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-4-[methyl(propyl)amino]benzamide?
The IUPAC name of N-(2-amino-2-ethylbutyl)-4-[methyl(propyl)amino]benzamide (CID 119644057) is N-(2-amino-2-ethylbutyl)-4-[methyl(propyl)amino]benzamide.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-4-[methyl(propyl)amino]benzamide?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-4-[methyl(propyl)amino]benzamide is CCCN(C)c1ccc(C(=O)NCC(N)(CC)CC)cc1.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-4-[methyl(propyl)amino]benzamide?
The InChIKey is GVKLURKTVGYDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-5-12-20(4)15-10-8-14(9-11-15)16(21)19-13-17(18,6-2)7-3/h8-11H,5-7,12-13,18H2,1-4H3,(H,19,21).
What are the key properties of N-(2-amino-2-ethylbutyl)-4-[methyl(propyl)amino]benzamide?
N-(2-amino-2-ethylbutyl)-4-[methyl(propyl)amino]benzamide has a molecular weight of 291.44 g/mol, XLogP of 2.78, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-4-[methyl(propyl)amino]benzamide is sourced from PubChem (CID 119644057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).