N-[(2R)-2-hydroxy-2-phenylethyl]-N'-[2-(pyrrolidine-1-carbonyl)phenyl]oxamide

C21H23N3O4 — CID 41010376

IUPACN-[(2R)-2-hydroxy-2-phenylethyl]-N'-[2-(pyrrolidine-1-carbonyl)phenyl]oxamide
SMILESO=C(NC[C@H](O)c1ccccc1)C(=O)Nc1ccccc1C(=O)N1CCCC1
InChIInChI=1S/C21H23N3O4/c25-18(15-8-2-1-3-9-15)14-22-19(26)20(27)23-17-11-5-4-10-16(17)21(28)24-12-6-7-13-24/h1-5,8-11,18,25H,6-7,12-14H2,(H,22,26)(H,23,27)/t18-/m0/s1
InChIKeyQLKXYRLRGQBGMW-SFHVURJKSA-N
MW381.43 g/mol
LogP1.71
Rot. Bonds5

About N-[(2R)-2-hydroxy-2-phenylethyl]-N'-[2-(pyrrolidine-1-carbonyl)phenyl]oxamide

N-[(2R)-2-hydroxy-2-phenylethyl]-N'-[2-(pyrrolidine-1-carbonyl)phenyl]oxamide (PubChem CID 41010376) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is N-[(2R)-2-hydroxy-2-phenylethyl]-N'-[2-(pyrrolidine-1-carbonyl)phenyl]oxamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxy-2-phenylethyl]-N'-[2-(pyrrolidine-1-carbonyl)phenyl]oxamide
PubChem CID41010376
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC NameN-[(2R)-2-hydroxy-2-phenylethyl]-N'-[2-(pyrrolidine-1-carbonyl)phenyl]oxamide
SMILESO=C(NC[C@H](O)c1ccccc1)C(=O)Nc1ccccc1C(=O)N1CCCC1
InChIInChI=1S/C21H23N3O4/c25-18(15-8-2-1-3-9-15)14-22-19(26)20(27)23-17-11-5-4-10-16(17)21(28)24-12-6-7-13-24/h1-5,8-11,18,25H,6-7,12-14H2,(H,22,26)(H,23,27)/t18-/m0/s1
InChIKeyQLKXYRLRGQBGMW-SFHVURJKSA-N
XLogP1.71
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 51.71
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

2,2-diphenyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 1272938
2,2-diphenyl-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 1341137
2-phenylsulfanyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 1322793
5-oxo-5-[2-(piperidine-1-carbonyl)anilino]pentanoic acid
CID 727281
1-propyl-3-[2-(pyrrolidine-1-carbonyl)phenyl]urea
CID 47201043
2-[2-(pyrrolidine-1-carbonyl)anilino]acetic acid
CID 50969463
1-N,4-N-bis[2-(azepane-1-carbonyl)phenyl]benzene-1,4-dicarboxamide
CID 4938376
methyl N-[2-(pyrrolidine-1-carbonyl)phenyl]carbamate
CID 551078
2-amino-N-[2-(piperidine-1-carbonyl)phenyl]acetamide;hydrochloride
CID 119268834
N,N'-bis[2-(piperidine-1-carbonyl)phenyl]decanediamide
CID 17080136
N-[2-(azepane-1-carbonyl)phenyl]-2-chlorobenzamide
CID 2985638
2-[(2-hydroxy-2-phenylethyl)amino]-1-piperidin-1-ylethanone
CID 43392858

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxy-2-phenylethyl]-N'-[2-(pyrrolidine-1-carbonyl)phenyl]oxamide?
The IUPAC name of N-[(2R)-2-hydroxy-2-phenylethyl]-N'-[2-(pyrrolidine-1-carbonyl)phenyl]oxamide (CID 41010376) is N-[(2R)-2-hydroxy-2-phenylethyl]-N'-[2-(pyrrolidine-1-carbonyl)phenyl]oxamide.
What is the SMILES notation for N-[(2R)-2-hydroxy-2-phenylethyl]-N'-[2-(pyrrolidine-1-carbonyl)phenyl]oxamide?
The canonical SMILES for N-[(2R)-2-hydroxy-2-phenylethyl]-N'-[2-(pyrrolidine-1-carbonyl)phenyl]oxamide is O=C(NC[C@H](O)c1ccccc1)C(=O)Nc1ccccc1C(=O)N1CCCC1.
What is the InChIKey of N-[(2R)-2-hydroxy-2-phenylethyl]-N'-[2-(pyrrolidine-1-carbonyl)phenyl]oxamide?
The InChIKey is QLKXYRLRGQBGMW-SFHVURJKSA-N. The full InChI is InChI=1S/C21H23N3O4/c25-18(15-8-2-1-3-9-15)14-22-19(26)20(27)23-17-11-5-4-10-16(17)21(28)24-12-6-7-13-24/h1-5,8-11,18,25H,6-7,12-14H2,(H,22,26)(H,23,27)/t18-/m0/s1.
What are the key properties of N-[(2R)-2-hydroxy-2-phenylethyl]-N'-[2-(pyrrolidine-1-carbonyl)phenyl]oxamide?
N-[(2R)-2-hydroxy-2-phenylethyl]-N'-[2-(pyrrolidine-1-carbonyl)phenyl]oxamide has a molecular weight of 381.43 g/mol, XLogP of 1.71, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxy-2-phenylethyl]-N'-[2-(pyrrolidine-1-carbonyl)phenyl]oxamide is sourced from PubChem (CID 41010376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).