N-(3-amino-2-methylpropyl)-4-[ethyl(propyl)amino]benzamide

C16H27N3O — CID 119996678

IUPACN-(3-amino-2-methylpropyl)-4-[ethyl(propyl)amino]benzamide
SMILESCCCN(CC)c1ccc(C(=O)NCC(C)CN)cc1
InChIInChI=1S/C16H27N3O/c1-4-10-19(5-2)15-8-6-14(7-9-15)16(20)18-12-13(3)11-17/h6-9,13H,4-5,10-12,17H2,1-3H3,(H,18,20)
InChIKeyZGDHLSJUHDWZAG-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.25
Rot. Bonds8

About N-(3-amino-2-methylpropyl)-4-[ethyl(propyl)amino]benzamide

N-(3-amino-2-methylpropyl)-4-[ethyl(propyl)amino]benzamide (PubChem CID 119996678) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-4-[ethyl(propyl)amino]benzamide.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-4-[ethyl(propyl)amino]benzamide
PubChem CID119996678
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-(3-amino-2-methylpropyl)-4-[ethyl(propyl)amino]benzamide
SMILESCCCN(CC)c1ccc(C(=O)NCC(C)CN)cc1
InChIInChI=1S/C16H27N3O/c1-4-10-19(5-2)15-8-6-14(7-9-15)16(20)18-12-13(3)11-17/h6-9,13H,4-5,10-12,17H2,1-3H3,(H,18,20)
InChIKeyZGDHLSJUHDWZAG-UHFFFAOYSA-N
XLogP2.25
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[ethyl(propyl)amino]-N-[2-(methylamino)propyl]benzamide
CID 120829950
N-(3-amino-2-methylpropyl)-6-[ethyl(propyl)amino]pyridine-3-carboxamide
CID 119997079
N-(3-amino-2-methylpropyl)-4-methylbenzamide
CID 62668533
N-(3-amino-2-methylpropyl)-4-propylbenzamide;hydrochloride
CID 119995304
N-[(2S)-1-aminopropan-2-yl]-4-[butyl(ethyl)amino]benzamide
CID 120505281
N-(2-amino-1-cyclopropylethyl)-4-[ethyl(propyl)amino]benzamide
CID 119613110
N-(3-amino-2-methylpropyl)-4-chlorobenzamide;hydrochloride
CID 119996366
N-(3-aminobutyl)-4-[butyl(ethyl)amino]benzamide
CID 119495764
N-(3-amino-2,2-dimethylpropyl)-4-[ethyl(propyl)amino]-N-methylbenzamide;dihydrochloride
CID 119652761
4-[[4-(dimethylamino)benzoyl]amino]-3-methylbutanoic acid
CID 81064641
N-(3-amino-2-methylpropyl)-3,4-dichlorobenzamide
CID 115267427
N-(3-amino-4-methylpentyl)-4-[ethyl(propyl)amino]-N-methylbenzamide;dihydrochloride
CID 119657613

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-4-[ethyl(propyl)amino]benzamide?
The IUPAC name of N-(3-amino-2-methylpropyl)-4-[ethyl(propyl)amino]benzamide (CID 119996678) is N-(3-amino-2-methylpropyl)-4-[ethyl(propyl)amino]benzamide.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-4-[ethyl(propyl)amino]benzamide?
The canonical SMILES for N-(3-amino-2-methylpropyl)-4-[ethyl(propyl)amino]benzamide is CCCN(CC)c1ccc(C(=O)NCC(C)CN)cc1.
What is the InChIKey of N-(3-amino-2-methylpropyl)-4-[ethyl(propyl)amino]benzamide?
The InChIKey is ZGDHLSJUHDWZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-4-10-19(5-2)15-8-6-14(7-9-15)16(20)18-12-13(3)11-17/h6-9,13H,4-5,10-12,17H2,1-3H3,(H,18,20).
What are the key properties of N-(3-amino-2-methylpropyl)-4-[ethyl(propyl)amino]benzamide?
N-(3-amino-2-methylpropyl)-4-[ethyl(propyl)amino]benzamide has a molecular weight of 277.41 g/mol, XLogP of 2.25, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-4-[ethyl(propyl)amino]benzamide is sourced from PubChem (CID 119996678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).