N-(1-amino-2,4-dimethylpentan-2-yl)-4-[(2,2-dimethylpropanoylamino)methyl]benzamide

C20H33N3O2 — CID 119598107

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-4-[(2,2-dimethylpropanoylamino)methyl]benzamide
SMILESCC(C)CC(C)(CN)NC(=O)c1ccc(CNC(=O)C(C)(C)C)cc1
InChIInChI=1S/C20H33N3O2/c1-14(2)11-20(6,13-21)23-17(24)16-9-7-15(8-10-16)12-22-18(25)19(3,4)5/h7-10,14H,11-13,21H2,1-6H3,(H,22,25)(H,23,24)
InChIKeyOKPOTJUFHGLVDO-UHFFFAOYSA-N
MW347.50 g/mol
LogP2.84
Rot. Bonds7

About N-(1-amino-2,4-dimethylpentan-2-yl)-4-[(2,2-dimethylpropanoylamino)methyl]benzamide

N-(1-amino-2,4-dimethylpentan-2-yl)-4-[(2,2-dimethylpropanoylamino)methyl]benzamide (PubChem CID 119598107) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-4-[(2,2-dimethylpropanoylamino)methyl]benzamide.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-4-[(2,2-dimethylpropanoylamino)methyl]benzamide
PubChem CID119598107
Molecular FormulaC20H33N3O2
Molecular Weight347.50 g/mol
Exact Mass347.26
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-4-[(2,2-dimethylpropanoylamino)methyl]benzamide
SMILESCC(C)CC(C)(CN)NC(=O)c1ccc(CNC(=O)C(C)(C)C)cc1
InChIInChI=1S/C20H33N3O2/c1-14(2)11-20(6,13-21)23-17(24)16-9-7-15(8-10-16)12-22-18(25)19(3,4)5/h7-10,14H,11-13,21H2,1-6H3,(H,22,25)(H,23,24)
InChIKeyOKPOTJUFHGLVDO-UHFFFAOYSA-N
XLogP2.84
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-[(1-amino-2,4-dimethylpentan-2-yl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 119599088
N-(1-amino-2,4-dimethylpentan-2-yl)-4-propan-2-ylbenzamide;hydrochloride
CID 119600058
N-(1-amino-2,4-dimethylpentan-2-yl)-4-fluorobenzamide;hydrochloride
CID 119599305
N-(1-amino-2,4-dimethylpentan-2-yl)-4-(sulfamoylmethyl)benzamide;hydrochloride
CID 119597620
N-(1-amino-2,4-dimethylpentan-2-yl)-4-methylsulfonylbenzamide
CID 81486139
N-(1-amino-2,4-dimethylpentan-2-yl)-4-methylsulfanylbenzamide;hydrochloride
CID 119597507
N-(1-amino-4-methylpentan-2-yl)-4-[(2,2-dimethylpropanoylamino)methyl]benzamide
CID 119586202
N-(1-amino-2,4-dimethylpentan-2-yl)pyridine-4-carboxamide;dihydrochloride
CID 119598163
N-(1-amino-2,4-dimethylpentan-2-yl)-4-ethylsulfonylbenzamide;hydrochloride
CID 119599904
N-(2-amino-2-methylpropyl)-4-[(2,2-dimethylpropanoylamino)methyl]benzamide
CID 119626861
N-(1-amino-2,4-dimethylpentan-2-yl)-4-(imidazol-1-ylmethyl)benzamide
CID 119600171
N-(1-amino-2,4-dimethylpentan-2-yl)-4-(propan-2-ylcarbamoylamino)benzamide;hydrochloride
CID 119599349

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-4-[(2,2-dimethylpropanoylamino)methyl]benzamide?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-4-[(2,2-dimethylpropanoylamino)methyl]benzamide (CID 119598107) is N-(1-amino-2,4-dimethylpentan-2-yl)-4-[(2,2-dimethylpropanoylamino)methyl]benzamide.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-4-[(2,2-dimethylpropanoylamino)methyl]benzamide?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-4-[(2,2-dimethylpropanoylamino)methyl]benzamide is CC(C)CC(C)(CN)NC(=O)c1ccc(CNC(=O)C(C)(C)C)cc1.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-4-[(2,2-dimethylpropanoylamino)methyl]benzamide?
The InChIKey is OKPOTJUFHGLVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O2/c1-14(2)11-20(6,13-21)23-17(24)16-9-7-15(8-10-16)12-22-18(25)19(3,4)5/h7-10,14H,11-13,21H2,1-6H3,(H,22,25)(H,23,24).
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-4-[(2,2-dimethylpropanoylamino)methyl]benzamide?
N-(1-amino-2,4-dimethylpentan-2-yl)-4-[(2,2-dimethylpropanoylamino)methyl]benzamide has a molecular weight of 347.50 g/mol, XLogP of 2.84, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-4-[(2,2-dimethylpropanoylamino)methyl]benzamide is sourced from PubChem (CID 119598107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).