N-[(2S)-2-hydroxy-2-(2-methylphenyl)ethyl]-3-phenylprop-2-ynamide

C18H17NO2 — CID 97072671

IUPACN-[(2S)-2-hydroxy-2-(2-methylphenyl)ethyl]-3-phenylprop-2-ynamide
SMILESCc1ccccc1[C@H](O)CNC(=O)C#Cc1ccccc1
InChIInChI=1S/C18H17NO2/c1-14-7-5-6-10-16(14)17(20)13-19-18(21)12-11-15-8-3-2-4-9-15/h2-10,17,20H,13H2,1H3,(H,19,21)/t17-/m1/s1
InChIKeyBTOLRRYTWLPBBR-QGZVFWFLSA-N
MW279.34 g/mol
LogP2.20
Rot. Bonds3

About N-[(2S)-2-hydroxy-2-(2-methylphenyl)ethyl]-3-phenylprop-2-ynamide

N-[(2S)-2-hydroxy-2-(2-methylphenyl)ethyl]-3-phenylprop-2-ynamide (PubChem CID 97072671) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[(2S)-2-hydroxy-2-(2-methylphenyl)ethyl]-3-phenylprop-2-ynamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxy-2-(2-methylphenyl)ethyl]-3-phenylprop-2-ynamide
PubChem CID97072671
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC NameN-[(2S)-2-hydroxy-2-(2-methylphenyl)ethyl]-3-phenylprop-2-ynamide
SMILESCc1ccccc1[C@H](O)CNC(=O)C#Cc1ccccc1
InChIInChI=1S/C18H17NO2/c1-14-7-5-6-10-16(14)17(20)13-19-18(21)12-11-15-8-3-2-4-9-15/h2-10,17,20H,13H2,1H3,(H,19,21)/t17-/m1/s1
InChIKeyBTOLRRYTWLPBBR-QGZVFWFLSA-N
XLogP2.20
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxypropyl)-3-phenylprop-2-ynamide
CID 43501186
N-(2-amino-3-hydroxybutyl)-3-phenylprop-2-ynamide
CID 64538951
(2R)-N-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-2-methyl-3-methylsulfanylpropanamide
CID 96530841
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(2-methylpropyl)urea
CID 111119518
benzyl N-[(2S)-2-hydroxy-2-(2-methylphenyl)ethyl]carbamate
CID 124679296
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-(methylamino)acetamide
CID 119784439
N-[2-hydroxy-2-(2-methylphenyl)ethyl]prop-2-enamide
CID 166405126
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(1-phenylethyl)urea
CID 111119523
(2S)-2-amino-N-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-methylbutanamide;hydrochloride
CID 119324131
1,1-diethyl-3-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]urea
CID 97239385
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-4-methylpentanamide
CID 111119754
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(2-methylcyclopropyl)urea
CID 111119604

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxy-2-(2-methylphenyl)ethyl]-3-phenylprop-2-ynamide?
The IUPAC name of N-[(2S)-2-hydroxy-2-(2-methylphenyl)ethyl]-3-phenylprop-2-ynamide (CID 97072671) is N-[(2S)-2-hydroxy-2-(2-methylphenyl)ethyl]-3-phenylprop-2-ynamide.
What is the SMILES notation for N-[(2S)-2-hydroxy-2-(2-methylphenyl)ethyl]-3-phenylprop-2-ynamide?
The canonical SMILES for N-[(2S)-2-hydroxy-2-(2-methylphenyl)ethyl]-3-phenylprop-2-ynamide is Cc1ccccc1[C@H](O)CNC(=O)C#Cc1ccccc1.
What is the InChIKey of N-[(2S)-2-hydroxy-2-(2-methylphenyl)ethyl]-3-phenylprop-2-ynamide?
The InChIKey is BTOLRRYTWLPBBR-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H17NO2/c1-14-7-5-6-10-16(14)17(20)13-19-18(21)12-11-15-8-3-2-4-9-15/h2-10,17,20H,13H2,1H3,(H,19,21)/t17-/m1/s1.
What are the key properties of N-[(2S)-2-hydroxy-2-(2-methylphenyl)ethyl]-3-phenylprop-2-ynamide?
N-[(2S)-2-hydroxy-2-(2-methylphenyl)ethyl]-3-phenylprop-2-ynamide has a molecular weight of 279.34 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxy-2-(2-methylphenyl)ethyl]-3-phenylprop-2-ynamide is sourced from PubChem (CID 97072671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).