N-(1-amino-3-phenylpropan-2-yl)-4-ethylbenzamide

C18H22N2O — CID 63754694

IUPACN-(1-amino-3-phenylpropan-2-yl)-4-ethylbenzamide
SMILESCCc1ccc(C(=O)NC(CN)Cc2ccccc2)cc1
InChIInChI=1S/C18H22N2O/c1-2-14-8-10-16(11-9-14)18(21)20-17(13-19)12-15-6-4-3-5-7-15/h3-11,17H,2,12-13,19H2,1H3,(H,20,21)
InChIKeyNFFUPJAYPJVKJE-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.55
Rot. Bonds6

About N-(1-amino-3-phenylpropan-2-yl)-4-ethylbenzamide

N-(1-amino-3-phenylpropan-2-yl)-4-ethylbenzamide (PubChem CID 63754694) 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)-4-ethylbenzamide.

Molecular Properties

Compound NameN-(1-amino-3-phenylpropan-2-yl)-4-ethylbenzamide
PubChem CID63754694
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-(1-amino-3-phenylpropan-2-yl)-4-ethylbenzamide
SMILESCCc1ccc(C(=O)NC(CN)Cc2ccccc2)cc1
InChIInChI=1S/C18H22N2O/c1-2-14-8-10-16(11-9-14)18(21)20-17(13-19)12-15-6-4-3-5-7-15/h3-11,17H,2,12-13,19H2,1H3,(H,20,21)
InChIKeyNFFUPJAYPJVKJE-UHFFFAOYSA-N
XLogP2.55
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 778631
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CID 23344907
N-(1-amino-3-phenylpropan-2-yl)-2,3-dimethylbenzamide
CID 63755410
methyl (2S)-3-amino-2-[(4-ethylbenzoyl)amino]propanoate
CID 10586770
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-amino-3-phenylpropan-2-yl)-3-methylfuran-2-carboxamide
CID 63753408
4-amino-N-[1-(dimethylamino)-3-phenylpropan-2-yl]benzamide;hydrochloride
CID 117067649
N-(1-amino-3-phenylpropan-2-yl)-2,4-difluorobenzamide
CID 63754320
4-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 103945042
4-[(4-acetylbenzoyl)amino]-5-phenylpentanoic acid
CID 120546799

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-phenylpropan-2-yl)-4-ethylbenzamide?
The IUPAC name of N-(1-amino-3-phenylpropan-2-yl)-4-ethylbenzamide (CID 63754694) is N-(1-amino-3-phenylpropan-2-yl)-4-ethylbenzamide.
What is the SMILES notation for N-(1-amino-3-phenylpropan-2-yl)-4-ethylbenzamide?
The canonical SMILES for N-(1-amino-3-phenylpropan-2-yl)-4-ethylbenzamide is CCc1ccc(C(=O)NC(CN)Cc2ccccc2)cc1.
What is the InChIKey of N-(1-amino-3-phenylpropan-2-yl)-4-ethylbenzamide?
The InChIKey is NFFUPJAYPJVKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-2-14-8-10-16(11-9-14)18(21)20-17(13-19)12-15-6-4-3-5-7-15/h3-11,17H,2,12-13,19H2,1H3,(H,20,21).
What are the key properties of N-(1-amino-3-phenylpropan-2-yl)-4-ethylbenzamide?
N-(1-amino-3-phenylpropan-2-yl)-4-ethylbenzamide has a molecular weight of 282.39 g/mol, XLogP of 2.55, 6 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)-4-ethylbenzamide is sourced from PubChem (CID 63754694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).