N-(1-amino-3-phenylpropan-2-yl)-2-(hydroxymethyl)benzamide

C17H20N2O2 — CID 70473357

IUPACN-(1-amino-3-phenylpropan-2-yl)-2-(hydroxymethyl)benzamide
SMILESNCC(Cc1ccccc1)NC(=O)c1ccccc1CO
InChIInChI=1S/C17H20N2O2/c18-11-15(10-13-6-2-1-3-7-13)19-17(21)16-9-5-4-8-14(16)12-20/h1-9,15,20H,10-12,18H2,(H,19,21)
InChIKeyOOLHBODHQTZUIL-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.48
Rot. Bonds6

About N-(1-amino-3-phenylpropan-2-yl)-2-(hydroxymethyl)benzamide

N-(1-amino-3-phenylpropan-2-yl)-2-(hydroxymethyl)benzamide (PubChem CID 70473357) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-(1-amino-3-phenylpropan-2-yl)-2-(hydroxymethyl)benzamide.

Molecular Properties

Compound NameN-(1-amino-3-phenylpropan-2-yl)-2-(hydroxymethyl)benzamide
PubChem CID70473357
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN-(1-amino-3-phenylpropan-2-yl)-2-(hydroxymethyl)benzamide
SMILESNCC(Cc1ccccc1)NC(=O)c1ccccc1CO
InChIInChI=1S/C17H20N2O2/c18-11-15(10-13-6-2-1-3-7-13)19-17(21)16-9-5-4-8-14(16)12-20/h1-9,15,20H,10-12,18H2,(H,19,21)
InChIKeyOOLHBODHQTZUIL-UHFFFAOYSA-N
XLogP1.48
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-1-amino-3-phenylpropan-2-yl]-2-phenylbenzamide
CID 68724752
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N-(1-amino-3-phenylpropan-2-yl)-2,4-difluorobenzamide
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N-[(2R)-1-amino-4-phenylbutan-2-yl]-2-phenylbenzamide
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N-(1-aminohexan-2-yl)-2-benzylbenzamide
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2-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 42364147
N-(1-amino-3-phenylpropan-2-yl)-4-ethylbenzamide
CID 63754694
2,3-dihydroxy-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 102673829
N-(1-hydroxy-3-phenylpropan-2-yl)-2-iodobenzamide
CID 6709695
2-(2-aminoethyl)-N-(1,3-dihydroxypropan-2-yl)benzamide
CID 65314197
N-(1-bromo-3-phenylpropan-2-yl)-2-hydroxybenzamide
CID 114311235
2-benzoyl-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide
CID 21190791

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-phenylpropan-2-yl)-2-(hydroxymethyl)benzamide?
The IUPAC name of N-(1-amino-3-phenylpropan-2-yl)-2-(hydroxymethyl)benzamide (CID 70473357) is N-(1-amino-3-phenylpropan-2-yl)-2-(hydroxymethyl)benzamide.
What is the SMILES notation for N-(1-amino-3-phenylpropan-2-yl)-2-(hydroxymethyl)benzamide?
The canonical SMILES for N-(1-amino-3-phenylpropan-2-yl)-2-(hydroxymethyl)benzamide is NCC(Cc1ccccc1)NC(=O)c1ccccc1CO.
What is the InChIKey of N-(1-amino-3-phenylpropan-2-yl)-2-(hydroxymethyl)benzamide?
The InChIKey is OOLHBODHQTZUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c18-11-15(10-13-6-2-1-3-7-13)19-17(21)16-9-5-4-8-14(16)12-20/h1-9,15,20H,10-12,18H2,(H,19,21).
What are the key properties of N-(1-amino-3-phenylpropan-2-yl)-2-(hydroxymethyl)benzamide?
N-(1-amino-3-phenylpropan-2-yl)-2-(hydroxymethyl)benzamide has a molecular weight of 284.36 g/mol, XLogP of 1.48, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3-phenylpropan-2-yl)-2-(hydroxymethyl)benzamide is sourced from PubChem (CID 70473357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).