N-(1-amino-3-phenylpropan-2-yl)-2,3-dimethylbenzamide

C18H22N2O — CID 63755410

IUPACN-(1-amino-3-phenylpropan-2-yl)-2,3-dimethylbenzamide
SMILESCc1cccc(C(=O)NC(CN)Cc2ccccc2)c1C
InChIInChI=1S/C18H22N2O/c1-13-7-6-10-17(14(13)2)18(21)20-16(12-19)11-15-8-4-3-5-9-15/h3-10,16H,11-12,19H2,1-2H3,(H,20,21)
InChIKeyPUKVFZKAEATWLL-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.60
Rot. Bonds5

About N-(1-amino-3-phenylpropan-2-yl)-2,3-dimethylbenzamide

N-(1-amino-3-phenylpropan-2-yl)-2,3-dimethylbenzamide (PubChem CID 63755410) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-(1-amino-3-phenylpropan-2-yl)-2,3-dimethylbenzamide.

Molecular Properties

Compound NameN-(1-amino-3-phenylpropan-2-yl)-2,3-dimethylbenzamide
PubChem CID63755410
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-(1-amino-3-phenylpropan-2-yl)-2,3-dimethylbenzamide
SMILESCc1cccc(C(=O)NC(CN)Cc2ccccc2)c1C
InChIInChI=1S/C18H22N2O/c1-13-7-6-10-17(14(13)2)18(21)20-16(12-19)11-15-8-4-3-5-9-15/h3-10,16H,11-12,19H2,1-2H3,(H,20,21)
InChIKeyPUKVFZKAEATWLL-UHFFFAOYSA-N
XLogP2.60
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2,3-dimethylbenzoyl)amino]-5-phenylpentanoic acid
CID 120547076
2-[(2,3-dimethylbenzoyl)amino]-3-phenylpropanoic acid
CID 16786218
N-(1-amino-3-methoxypropan-2-yl)-2,3-dimethylbenzamide
CID 106180025
N-[(2R)-1-amino-3-phenylpropan-2-yl]-2-phenylbenzamide
CID 68724752
N-(1-amino-3-phenylpropan-2-yl)-2-(hydroxymethyl)benzamide
CID 70473357
N-(1-aminopropan-2-yl)-2,3-dimethylbenzamide
CID 63731328
N-(1-amino-3-phenylpropan-2-yl)-3-methylfuran-2-carboxamide
CID 63753408
3-bromo-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylbenzamide
CID 102673913
N-(1-amino-3-phenylpropan-2-yl)-4-ethylbenzamide
CID 63754694
N-(1-amino-3-phenylpropan-2-yl)-2,4-difluorobenzamide
CID 63754320
2,3-dimethylbenzohydrazide
CID 16790549
(2S)-2-[(2,3-dimethylbenzoyl)amino]-2-phenylacetic acid
CID 30123282

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-phenylpropan-2-yl)-2,3-dimethylbenzamide?
The IUPAC name of N-(1-amino-3-phenylpropan-2-yl)-2,3-dimethylbenzamide (CID 63755410) is N-(1-amino-3-phenylpropan-2-yl)-2,3-dimethylbenzamide.
What is the SMILES notation for N-(1-amino-3-phenylpropan-2-yl)-2,3-dimethylbenzamide?
The canonical SMILES for N-(1-amino-3-phenylpropan-2-yl)-2,3-dimethylbenzamide is Cc1cccc(C(=O)NC(CN)Cc2ccccc2)c1C.
What is the InChIKey of N-(1-amino-3-phenylpropan-2-yl)-2,3-dimethylbenzamide?
The InChIKey is PUKVFZKAEATWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-13-7-6-10-17(14(13)2)18(21)20-16(12-19)11-15-8-4-3-5-9-15/h3-10,16H,11-12,19H2,1-2H3,(H,20,21).
What are the key properties of N-(1-amino-3-phenylpropan-2-yl)-2,3-dimethylbenzamide?
N-(1-amino-3-phenylpropan-2-yl)-2,3-dimethylbenzamide has a molecular weight of 282.39 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3-phenylpropan-2-yl)-2,3-dimethylbenzamide is sourced from PubChem (CID 63755410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).