N-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-1-phenylcyclopropane-1-carboxamide

C19H21NO2 — CID 96530875

IUPACN-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-1-phenylcyclopropane-1-carboxamide
SMILESCc1ccccc1[C@@H](O)CNC(=O)C1(c2ccccc2)CC1
InChIInChI=1S/C19H21NO2/c1-14-7-5-6-10-16(14)17(21)13-20-18(22)19(11-12-19)15-8-3-2-4-9-15/h2-10,17,21H,11-13H2,1H3,(H,20,22)/t17-/m0/s1
InChIKeyKRSHSDLXZFLWGX-KRWDZBQOSA-N
MW295.38 g/mol
LogP2.88
Rot. Bonds5

About N-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-1-phenylcyclopropane-1-carboxamide

N-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-1-phenylcyclopropane-1-carboxamide (PubChem CID 96530875) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is N-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-1-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-1-phenylcyclopropane-1-carboxamide
PubChem CID96530875
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC NameN-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-1-phenylcyclopropane-1-carboxamide
SMILESCc1ccccc1[C@@H](O)CNC(=O)C1(c2ccccc2)CC1
InChIInChI=1S/C19H21NO2/c1-14-7-5-6-10-16(14)17(21)13-20-18(22)19(11-12-19)15-8-3-2-4-9-15/h2-10,17,21H,11-13H2,1H3,(H,20,22)/t17-/m0/s1
InChIKeyKRSHSDLXZFLWGX-KRWDZBQOSA-N
XLogP2.88
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-phenylcyclopropane-1-carboxamide
CID 111565737
N-[(2S)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-1-phenylcyclopropane-1-carboxamide
CID 95382656
N-(3-hydroxy-2-methylpropyl)-1-phenylcyclopropane-1-carboxamide
CID 65036967
1-(3-chlorophenyl)-N-[2-hydroxy-2-(2-methoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 56812374
benzyl N-[(2S)-2-hydroxy-2-(2-methylphenyl)ethyl]carbamate
CID 124679296
4-(aminomethyl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]oxane-4-carboxamide;hydrochloride
CID 120932524
N-[(2R)-2-(ethylamino)propyl]-1-phenylcyclopropane-1-carboxamide
CID 120651845
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(2-methylpropyl)urea
CID 111119518
N-(4-chloro-2-methylbutyl)-1-phenylcyclopropane-1-carboxamide
CID 113273675
N-[2-hydroxy-3-(2-methylpropoxy)propyl]-1-phenylcyclopropane-1-carboxamide
CID 111662697
2-methyl-3-[(1-phenylcyclobutanecarbonyl)amino]propanoic acid
CID 55105160
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-3,5-dimethylbenzamide
CID 111119847

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-1-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-1-phenylcyclopropane-1-carboxamide (CID 96530875) is N-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-1-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-1-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-1-phenylcyclopropane-1-carboxamide is Cc1ccccc1[C@@H](O)CNC(=O)C1(c2ccccc2)CC1.
What is the InChIKey of N-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-1-phenylcyclopropane-1-carboxamide?
The InChIKey is KRSHSDLXZFLWGX-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H21NO2/c1-14-7-5-6-10-16(14)17(21)13-20-18(22)19(11-12-19)15-8-3-2-4-9-15/h2-10,17,21H,11-13H2,1H3,(H,20,22)/t17-/m0/s1.
What are the key properties of N-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-1-phenylcyclopropane-1-carboxamide?
N-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-1-phenylcyclopropane-1-carboxamide has a molecular weight of 295.38 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-1-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 96530875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).