N-(2-amino-2-methylpropyl)-4-[(2,2-dimethylpropanoylamino)methyl]benzamide

C17H27N3O2 — CID 119626861

IUPACN-(2-amino-2-methylpropyl)-4-[(2,2-dimethylpropanoylamino)methyl]benzamide
SMILESCC(C)(N)CNC(=O)c1ccc(CNC(=O)C(C)(C)C)cc1
InChIInChI=1S/C17H27N3O2/c1-16(2,3)15(22)19-10-12-6-8-13(9-7-12)14(21)20-11-17(4,5)18/h6-9H,10-11,18H2,1-5H3,(H,19,22)(H,20,21)
InChIKeyNXWIBKOUFSYPFL-UHFFFAOYSA-N
MW305.42 g/mol
LogP1.82
Rot. Bonds5

About N-(2-amino-2-methylpropyl)-4-[(2,2-dimethylpropanoylamino)methyl]benzamide

N-(2-amino-2-methylpropyl)-4-[(2,2-dimethylpropanoylamino)methyl]benzamide (PubChem CID 119626861) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-4-[(2,2-dimethylpropanoylamino)methyl]benzamide.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-4-[(2,2-dimethylpropanoylamino)methyl]benzamide
PubChem CID119626861
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC NameN-(2-amino-2-methylpropyl)-4-[(2,2-dimethylpropanoylamino)methyl]benzamide
SMILESCC(C)(N)CNC(=O)c1ccc(CNC(=O)C(C)(C)C)cc1
InChIInChI=1S/C17H27N3O2/c1-16(2,3)15(22)19-10-12-6-8-13(9-7-12)14(21)20-11-17(4,5)18/h6-9H,10-11,18H2,1-5H3,(H,19,22)(H,20,21)
InChIKeyNXWIBKOUFSYPFL-UHFFFAOYSA-N
XLogP1.82
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-methylpropyl)-4-[(carbamoylamino)methyl]benzamide
CID 119626305
N-[(4-carbamothioylphenyl)methyl]-2,2-dimethylpropanamide
CID 62309629
N-(2-amino-2-methylpropyl)-4-(methoxymethyl)benzamide;hydrochloride
CID 119629575
N-(2-amino-2-methylpropyl)-4-bromobenzamide
CID 81482664
N-(1-amino-4-methylpentan-2-yl)-4-[(2,2-dimethylpropanoylamino)methyl]benzamide
CID 119586202
N-(1-amino-2,4-dimethylpentan-2-yl)-4-[(2,2-dimethylpropanoylamino)methyl]benzamide
CID 119598107
1-N-(2-amino-2-methylpropyl)-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;hydrochloride
CID 119630029
2-benzyl-3-[[4-[(2,2-dimethylpropanoylamino)methyl]benzoyl]amino]propanoic acid
CID 120525195
N-(2-amino-2-methylpropyl)-4-propan-2-ylbenzamide;hydrochloride
CID 119630213
4-(aminomethyl)-N-[3-(2,2-dimethylpropanoylamino)propyl]benzamide
CID 82097324
2-[4-[[4-[(2,2-dimethylpropanoylamino)methyl]benzoyl]amino]oxan-4-yl]acetic acid
CID 120521612
1-N-(2-amino-2-methylpropyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide;hydrochloride
CID 119629402

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-4-[(2,2-dimethylpropanoylamino)methyl]benzamide?
The IUPAC name of N-(2-amino-2-methylpropyl)-4-[(2,2-dimethylpropanoylamino)methyl]benzamide (CID 119626861) is N-(2-amino-2-methylpropyl)-4-[(2,2-dimethylpropanoylamino)methyl]benzamide.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-4-[(2,2-dimethylpropanoylamino)methyl]benzamide?
The canonical SMILES for N-(2-amino-2-methylpropyl)-4-[(2,2-dimethylpropanoylamino)methyl]benzamide is CC(C)(N)CNC(=O)c1ccc(CNC(=O)C(C)(C)C)cc1.
What is the InChIKey of N-(2-amino-2-methylpropyl)-4-[(2,2-dimethylpropanoylamino)methyl]benzamide?
The InChIKey is NXWIBKOUFSYPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-16(2,3)15(22)19-10-12-6-8-13(9-7-12)14(21)20-11-17(4,5)18/h6-9H,10-11,18H2,1-5H3,(H,19,22)(H,20,21).
What are the key properties of N-(2-amino-2-methylpropyl)-4-[(2,2-dimethylpropanoylamino)methyl]benzamide?
N-(2-amino-2-methylpropyl)-4-[(2,2-dimethylpropanoylamino)methyl]benzamide has a molecular weight of 305.42 g/mol, XLogP of 1.82, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-4-[(2,2-dimethylpropanoylamino)methyl]benzamide is sourced from PubChem (CID 119626861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).