N-[(2S)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-1-phenylcyclopropane-1-carboxamide

C20H23NO4 — CID 95382656

IUPACN-[(2S)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-1-phenylcyclopropane-1-carboxamide
SMILESCOc1ccc(OC)c([C@H](O)CNC(=O)C2(c3ccccc3)CC2)c1
InChIInChI=1S/C20H23NO4/c1-24-15-8-9-18(25-2)16(12-15)17(22)13-21-19(23)20(10-11-20)14-6-4-3-5-7-14/h3-9,12,17,22H,10-11,13H2,1-2H3,(H,21,23)/t17-/m1/s1
InChIKeyMGFOYTICQIKYQU-QGZVFWFLSA-N
MW341.41 g/mol
LogP2.59
Rot. Bonds7

About N-[(2S)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-1-phenylcyclopropane-1-carboxamide

N-[(2S)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-1-phenylcyclopropane-1-carboxamide (PubChem CID 95382656) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-[(2S)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-1-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-1-phenylcyclopropane-1-carboxamide
PubChem CID95382656
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC NameN-[(2S)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-1-phenylcyclopropane-1-carboxamide
SMILESCOc1ccc(OC)c([C@H](O)CNC(=O)C2(c3ccccc3)CC2)c1
InChIInChI=1S/C20H23NO4/c1-24-15-8-9-18(25-2)16(12-15)17(22)13-21-19(23)20(10-11-20)14-6-4-3-5-7-14/h3-9,12,17,22H,10-11,13H2,1-2H3,(H,21,23)/t17-/m1/s1
InChIKeyMGFOYTICQIKYQU-QGZVFWFLSA-N
XLogP2.59
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]cyclopropane-1-carboxamide
CID 119719575
1-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-[(1-phenylcyclopentyl)methyl]urea
CID 78882665
1-(3-chlorophenyl)-N-[2-hydroxy-2-(2-methoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 56812374
N-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-1-phenylcyclopropane-1-carboxamide
CID 96530875
N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-methoxy-5-phenylthiophene-2-carboxamide
CID 55853551
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-phenylcyclopropane-1-carboxamide
CID 111565737
2-bromo-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]acetamide
CID 139669776
N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide
CID 55654201
(2S)-2-amino-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]propanamide;hydrochloride
CID 119287235
2-amino-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]acetamide;2,3-dihydroxybutanedioic acid
CID 138544619
1-[(2R)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-pyridin-2-ylurea
CID 95129792
N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-2-[(4-methoxybenzoyl)amino]benzamide
CID 55654385

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-1-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-[(2S)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-1-phenylcyclopropane-1-carboxamide (CID 95382656) is N-[(2S)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-1-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[(2S)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-1-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-[(2S)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-1-phenylcyclopropane-1-carboxamide is COc1ccc(OC)c([C@H](O)CNC(=O)C2(c3ccccc3)CC2)c1.
What is the InChIKey of N-[(2S)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-1-phenylcyclopropane-1-carboxamide?
The InChIKey is MGFOYTICQIKYQU-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H23NO4/c1-24-15-8-9-18(25-2)16(12-15)17(22)13-21-19(23)20(10-11-20)14-6-4-3-5-7-14/h3-9,12,17,22H,10-11,13H2,1-2H3,(H,21,23)/t17-/m1/s1.
What are the key properties of N-[(2S)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-1-phenylcyclopropane-1-carboxamide?
N-[(2S)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-1-phenylcyclopropane-1-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-1-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 95382656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).