N-(1-amino-2-phenylpropan-2-yl)-4-methylbenzamide

C17H20N2O — CID 105060436

IUPACN-(1-amino-2-phenylpropan-2-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NC(C)(CN)c2ccccc2)cc1
InChIInChI=1S/C17H20N2O/c1-13-8-10-14(11-9-13)16(20)19-17(2,12-18)15-6-4-3-5-7-15/h3-11H,12,18H2,1-2H3,(H,19,20)
InChIKeyQTBGIESXJITMKB-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.60
Rot. Bonds4

About N-(1-amino-2-phenylpropan-2-yl)-4-methylbenzamide

N-(1-amino-2-phenylpropan-2-yl)-4-methylbenzamide (PubChem CID 105060436) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is N-(1-amino-2-phenylpropan-2-yl)-4-methylbenzamide.

Molecular Properties

Compound NameN-(1-amino-2-phenylpropan-2-yl)-4-methylbenzamide
PubChem CID105060436
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC NameN-(1-amino-2-phenylpropan-2-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NC(C)(CN)c2ccccc2)cc1
InChIInChI=1S/C17H20N2O/c1-13-8-10-14(11-9-13)16(20)19-17(2,12-18)15-6-4-3-5-7-15/h3-11H,12,18H2,1-2H3,(H,19,20)
InChIKeyQTBGIESXJITMKB-UHFFFAOYSA-N
XLogP2.60
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-amino-2-phenylpropan-2-yl)-4-fluoro-3-methylbenzamide
CID 105060363
N-(1-amino-2-phenylpropan-2-yl)-3-fluorobenzamide
CID 105060344
N-(1-amino-2-phenylpropan-2-yl)-2-fluorobenzamide
CID 105060348
N-(1-amino-2-phenylpropan-2-yl)-2-methylfuran-3-carboxamide
CID 105060475
N-(1-amino-2-phenylpropan-2-yl)-1,3-dimethylpyrazole-4-carboxamide
CID 102802495
N-(4-methyl-2-phenylpentan-2-yl)benzamide
CID 91484527
N-(2-hydroxy-2-phenylpropyl)-4-methylbenzamide
CID 110663962
N-(1-bromo-2-phenylpropan-2-yl)-3,5-dimethylbenzamide
CID 105059975
N-(1-amino-2-phenylpropan-2-yl)-3,3,3-trifluoropropanamide
CID 105060471
3,5-diamino-N-(1-hydroxy-2-phenylpropan-2-yl)benzamide
CID 105057637
N-(1-bromo-2-phenylpropan-2-yl)-2,4-dimethylbenzamide
CID 105060041
N-(1-amino-2-phenylpropan-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 105060410

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-phenylpropan-2-yl)-4-methylbenzamide?
The IUPAC name of N-(1-amino-2-phenylpropan-2-yl)-4-methylbenzamide (CID 105060436) is N-(1-amino-2-phenylpropan-2-yl)-4-methylbenzamide.
What is the SMILES notation for N-(1-amino-2-phenylpropan-2-yl)-4-methylbenzamide?
The canonical SMILES for N-(1-amino-2-phenylpropan-2-yl)-4-methylbenzamide is Cc1ccc(C(=O)NC(C)(CN)c2ccccc2)cc1.
What is the InChIKey of N-(1-amino-2-phenylpropan-2-yl)-4-methylbenzamide?
The InChIKey is QTBGIESXJITMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-13-8-10-14(11-9-13)16(20)19-17(2,12-18)15-6-4-3-5-7-15/h3-11H,12,18H2,1-2H3,(H,19,20).
What are the key properties of N-(1-amino-2-phenylpropan-2-yl)-4-methylbenzamide?
N-(1-amino-2-phenylpropan-2-yl)-4-methylbenzamide has a molecular weight of 268.36 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-phenylpropan-2-yl)-4-methylbenzamide is sourced from PubChem (CID 105060436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).