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

C19H31N3O2 — CID 119586202

IUPACN-(1-amino-4-methylpentan-2-yl)-4-[(2,2-dimethylpropanoylamino)methyl]benzamide
SMILESCC(C)CC(CN)NC(=O)c1ccc(CNC(=O)C(C)(C)C)cc1
InChIInChI=1S/C19H31N3O2/c1-13(2)10-16(11-20)22-17(23)15-8-6-14(7-9-15)12-21-18(24)19(3,4)5/h6-9,13,16H,10-12,20H2,1-5H3,(H,21,24)(H,22,23)
InChIKeyXYNYWHDGSDYZCC-UHFFFAOYSA-N
MW333.48 g/mol
LogP2.45
Rot. Bonds7

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

N-(1-amino-4-methylpentan-2-yl)-4-[(2,2-dimethylpropanoylamino)methyl]benzamide (PubChem CID 119586202) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-4-[(2,2-dimethylpropanoylamino)methyl]benzamide.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-4-[(2,2-dimethylpropanoylamino)methyl]benzamide
PubChem CID119586202
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-4-[(2,2-dimethylpropanoylamino)methyl]benzamide
SMILESCC(C)CC(CN)NC(=O)c1ccc(CNC(=O)C(C)(C)C)cc1
InChIInChI=1S/C19H31N3O2/c1-13(2)10-16(11-20)22-17(23)15-8-6-14(7-9-15)12-21-18(24)19(3,4)5/h6-9,13,16H,10-12,20H2,1-5H3,(H,21,24)(H,22,23)
InChIKeyXYNYWHDGSDYZCC-UHFFFAOYSA-N
XLogP2.45
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-4-methylpentan-2-yl)-4-[(ethylsulfonylamino)methyl]benzamide
CID 119587508
N-(1-amino-4-methylpentan-2-yl)-4-propylbenzamide
CID 119588043
N-(1-amino-2,4-dimethylpentan-2-yl)-4-[(2,2-dimethylpropanoylamino)methyl]benzamide
CID 119598107
N-(1-amino-4-methylpentan-2-yl)-4-fluorobenzamide;hydrochloride
CID 119587572
4-(acetamidomethyl)-N-(1-hydroxy-4-methylpentan-2-yl)benzamide
CID 61246638
N-(1-amino-4-methylpentan-2-yl)-4-(difluoromethylsulfonylmethyl)benzamide
CID 119588784
N-(2-amino-2-methylpropyl)-4-[(2,2-dimethylpropanoylamino)methyl]benzamide
CID 119626861
N-[(4-carbamothioylphenyl)methyl]-2,2-dimethylpropanamide
CID 62309629
N-(1-amino-4-methylpentan-2-yl)-6-oxo-1H-pyridine-3-carboxamide;hydrochloride
CID 119588511
N-(1-amino-4-methylpentan-2-yl)-3,4-dichlorobenzamide;hydrochloride
CID 119585468
N-(1-amino-4-methylpentan-2-yl)-3-fluoro-4-methylbenzamide
CID 63754724
N-(1-amino-4-methylpentan-2-yl)-4-methyl-3-methylsulfonylbenzamide
CID 119586545

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-4-[(2,2-dimethylpropanoylamino)methyl]benzamide?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-4-[(2,2-dimethylpropanoylamino)methyl]benzamide (CID 119586202) is N-(1-amino-4-methylpentan-2-yl)-4-[(2,2-dimethylpropanoylamino)methyl]benzamide.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-4-[(2,2-dimethylpropanoylamino)methyl]benzamide?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-4-[(2,2-dimethylpropanoylamino)methyl]benzamide is CC(C)CC(CN)NC(=O)c1ccc(CNC(=O)C(C)(C)C)cc1.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-4-[(2,2-dimethylpropanoylamino)methyl]benzamide?
The InChIKey is XYNYWHDGSDYZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-13(2)10-16(11-20)22-17(23)15-8-6-14(7-9-15)12-21-18(24)19(3,4)5/h6-9,13,16H,10-12,20H2,1-5H3,(H,21,24)(H,22,23).
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-4-[(2,2-dimethylpropanoylamino)methyl]benzamide?
N-(1-amino-4-methylpentan-2-yl)-4-[(2,2-dimethylpropanoylamino)methyl]benzamide has a molecular weight of 333.48 g/mol, XLogP of 2.45, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-4-[(2,2-dimethylpropanoylamino)methyl]benzamide is sourced from PubChem (CID 119586202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).