N-(5-amino-2,2-dimethylpentyl)-4-(dimethylamino)benzamide

C16H27N3O — CID 106140589

IUPACN-(5-amino-2,2-dimethylpentyl)-4-(dimethylamino)benzamide
SMILESCN(C)c1ccc(C(=O)NCC(C)(C)CCCN)cc1
InChIInChI=1S/C16H27N3O/c1-16(2,10-5-11-17)12-18-15(20)13-6-8-14(9-7-13)19(3)4/h6-9H,5,10-12,17H2,1-4H3,(H,18,20)
InChIKeyPMYGYMWOTDXMMA-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.25
Rot. Bonds7

About N-(5-amino-2,2-dimethylpentyl)-4-(dimethylamino)benzamide

N-(5-amino-2,2-dimethylpentyl)-4-(dimethylamino)benzamide (PubChem CID 106140589) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-(5-amino-2,2-dimethylpentyl)-4-(dimethylamino)benzamide.

Molecular Properties

Compound NameN-(5-amino-2,2-dimethylpentyl)-4-(dimethylamino)benzamide
PubChem CID106140589
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-(5-amino-2,2-dimethylpentyl)-4-(dimethylamino)benzamide
SMILESCN(C)c1ccc(C(=O)NCC(C)(C)CCCN)cc1
InChIInChI=1S/C16H27N3O/c1-16(2,10-5-11-17)12-18-15(20)13-6-8-14(9-7-13)19(3)4/h6-9H,5,10-12,17H2,1-4H3,(H,18,20)
InChIKeyPMYGYMWOTDXMMA-UHFFFAOYSA-N
XLogP2.25
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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

N-(4-amino-2,2-dimethylbutyl)-4-ethylbenzamide
CID 114148877
N-(2-amino-2-ethylbutyl)-4-(dimethylamino)benzamide
CID 115305742
N-(5-amino-2,2-dimethylpentyl)-3,4-dimethoxybenzamide
CID 106141080
N-(3-aminopropyl)-4-[[4-(dimethylamino)phenyl]diazenyl]benzamide
CID 155404148
4-tert-butyl-N-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]benzamide
CID 108542009
4-(dimethylamino)-N-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]benzamide
CID 95977014
4-(aminomethyl)-N-(4-hydroxy-2,2-dimethylbutyl)benzamide
CID 106147923
4-bromo-N-(5-bromo-2,2-dimethylpentyl)benzamide
CID 114149699
N-(5-amino-2,2-dimethylpentyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 106140544
4-N-(4-hydroxy-2,2-dimethylbutyl)benzene-1,4-dicarboxamide
CID 103772906
methyl 2-[[4-(dimethylamino)benzoyl]amino]acetate
CID 27682246
1-N-(2-amino-2-methylpropyl)-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;hydrochloride
CID 119630029

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2,2-dimethylpentyl)-4-(dimethylamino)benzamide?
The IUPAC name of N-(5-amino-2,2-dimethylpentyl)-4-(dimethylamino)benzamide (CID 106140589) is N-(5-amino-2,2-dimethylpentyl)-4-(dimethylamino)benzamide.
What is the SMILES notation for N-(5-amino-2,2-dimethylpentyl)-4-(dimethylamino)benzamide?
The canonical SMILES for N-(5-amino-2,2-dimethylpentyl)-4-(dimethylamino)benzamide is CN(C)c1ccc(C(=O)NCC(C)(C)CCCN)cc1.
What is the InChIKey of N-(5-amino-2,2-dimethylpentyl)-4-(dimethylamino)benzamide?
The InChIKey is PMYGYMWOTDXMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-16(2,10-5-11-17)12-18-15(20)13-6-8-14(9-7-13)19(3)4/h6-9H,5,10-12,17H2,1-4H3,(H,18,20).
What are the key properties of N-(5-amino-2,2-dimethylpentyl)-4-(dimethylamino)benzamide?
N-(5-amino-2,2-dimethylpentyl)-4-(dimethylamino)benzamide has a molecular weight of 277.41 g/mol, XLogP of 2.25, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2,2-dimethylpentyl)-4-(dimethylamino)benzamide is sourced from PubChem (CID 106140589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).