N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-N'-(4-methoxyphenyl)oxamide

C20H22N2O4 — CID 95379568

IUPACN-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-N'-(4-methoxyphenyl)oxamide
SMILESCOc1ccc(NC(=O)C(=O)NC[C@@](O)(c2ccccc2)C2CC2)cc1
InChIInChI=1S/C20H22N2O4/c1-26-17-11-9-16(10-12-17)22-19(24)18(23)21-13-20(25,15-7-8-15)14-5-3-2-4-6-14/h2-6,9-12,15,25H,7-8,13H2,1H3,(H,21,23)(H,22,24)/t20-/m1/s1
InChIKeyTZLTWYVTTMZCEW-HXUWFJFHSA-N
MW354.41 g/mol
LogP2.05
Rot. Bonds6

About N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-N'-(4-methoxyphenyl)oxamide

N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-N'-(4-methoxyphenyl)oxamide (PubChem CID 95379568) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-N'-(4-methoxyphenyl)oxamide.

Molecular Properties

Compound NameN-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-N'-(4-methoxyphenyl)oxamide
PubChem CID95379568
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC NameN-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-N'-(4-methoxyphenyl)oxamide
SMILESCOc1ccc(NC(=O)C(=O)NC[C@@](O)(c2ccccc2)C2CC2)cc1
InChIInChI=1S/C20H22N2O4/c1-26-17-11-9-16(10-12-17)22-19(24)18(23)21-13-20(25,15-7-8-15)14-5-3-2-4-6-14/h2-6,9-12,15,25H,7-8,13H2,1H3,(H,21,23)(H,22,24)/t20-/m1/s1
InChIKeyTZLTWYVTTMZCEW-HXUWFJFHSA-N
XLogP2.05
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-N'-(4-methoxyphenyl)oxamide
CID 71788832
N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-N'-pyridin-3-yloxamide
CID 71788826
N-[(2R)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-N'-pyridin-3-yloxamide
CID 95379554
N'-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-N-propyloxamide
CID 90535556
N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-N'-[2-(trifluoromethyl)phenyl]oxamide
CID 95379595
(2S)-N-[(2R)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-2-phenoxypropanamide
CID 95379382
N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-N'-(2-methyl-5-nitrophenyl)oxamide
CID 176536965
N-(4-methoxyphenyl)-N'-(4-phenoxyphenyl)oxamide
CID 44995857
N,N'-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]oxamide
CID 134218618
N'-(2-cyclopropyl-2-hydroxypropyl)-N-[(4-methoxyphenyl)methyl]oxamide
CID 90499449
N'-(4-ethylphenyl)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]oxamide
CID 90498368
N'-[(1R)-1-cyclopropyl-2-phenylethyl]-N-(4-methoxyphenyl)oxamide
CID 95773405

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-N'-(4-methoxyphenyl)oxamide?
The IUPAC name of N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-N'-(4-methoxyphenyl)oxamide (CID 95379568) is N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-N'-(4-methoxyphenyl)oxamide.
What is the SMILES notation for N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-N'-(4-methoxyphenyl)oxamide?
The canonical SMILES for N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-N'-(4-methoxyphenyl)oxamide is COc1ccc(NC(=O)C(=O)NC[C@@](O)(c2ccccc2)C2CC2)cc1.
What is the InChIKey of N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-N'-(4-methoxyphenyl)oxamide?
The InChIKey is TZLTWYVTTMZCEW-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-26-17-11-9-16(10-12-17)22-19(24)18(23)21-13-20(25,15-7-8-15)14-5-3-2-4-6-14/h2-6,9-12,15,25H,7-8,13H2,1H3,(H,21,23)(H,22,24)/t20-/m1/s1.
What are the key properties of N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-N'-(4-methoxyphenyl)oxamide?
N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-N'-(4-methoxyphenyl)oxamide has a molecular weight of 354.41 g/mol, XLogP of 2.05, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-N'-(4-methoxyphenyl)oxamide is sourced from PubChem (CID 95379568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).