N-[(2S)-butan-2-yl]-N'-[(1R)-1-(4-methoxyphenyl)ethyl]oxamide

C15H22N2O3 — CID 124605637

IUPACN-[(2S)-butan-2-yl]-N'-[(1R)-1-(4-methoxyphenyl)ethyl]oxamide
SMILESCC[C@H](C)NC(=O)C(=O)N[C@H](C)c1ccc(OC)cc1
InChIInChI=1S/C15H22N2O3/c1-5-10(2)16-14(18)15(19)17-11(3)12-6-8-13(20-4)9-7-12/h6-11H,5H2,1-4H3,(H,16,18)(H,17,19)/t10-,11+/m0/s1
InChIKeyJSKUIQKVOJJOIH-WDEREUQCSA-N
MW278.35 g/mol
LogP1.79
Rot. Bonds5

About N-[(2S)-butan-2-yl]-N'-[(1R)-1-(4-methoxyphenyl)ethyl]oxamide

N-[(2S)-butan-2-yl]-N'-[(1R)-1-(4-methoxyphenyl)ethyl]oxamide (PubChem CID 124605637) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-N'-[(1R)-1-(4-methoxyphenyl)ethyl]oxamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-N'-[(1R)-1-(4-methoxyphenyl)ethyl]oxamide
PubChem CID124605637
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-[(2S)-butan-2-yl]-N'-[(1R)-1-(4-methoxyphenyl)ethyl]oxamide
SMILESCC[C@H](C)NC(=O)C(=O)N[C@H](C)c1ccc(OC)cc1
InChIInChI=1S/C15H22N2O3/c1-5-10(2)16-14(18)15(19)17-11(3)12-6-8-13(20-4)9-7-12/h6-11H,5H2,1-4H3,(H,16,18)(H,17,19)/t10-,11+/m0/s1
InChIKeyJSKUIQKVOJJOIH-WDEREUQCSA-N
XLogP1.79
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(2S)-butan-2-yl]-N'-[(1R)-1-(4-methoxyphenyl)ethyl]oxamide with MolForge

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Related Compounds

N-(2,2-dimethoxyethyl)-N'-[1-(4-methoxyphenyl)ethyl]oxamide
CID 108510377
(2S)-2-amino-N-[1-(4-methoxyphenyl)ethyl]butanamide
CID 66196419
(2R)-2-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 81363875
(2R)-2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]butanamide
CID 81364305
2-(4-methoxyphenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 94843836
1,1-diethyl-3-[1-(4-methoxyphenyl)ethyl]urea
CID 115598127
N'-[1-(4-methoxyphenyl)ethyl]-N-[(4-methylphenyl)methyl]oxamide
CID 108510275
2-bromo-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
CID 81370298
2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 81364080
N-[1-(4-methoxyphenyl)ethyl]-N'-(1,2,4-triazol-4-yl)oxamide
CID 108510281
1-N,4-N-bis[(1S)-1-(4-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide
CID 2211003
(2R)-N-[(2S)-butan-2-yl]-2-(4-methoxyphenoxy)propanamide
CID 925169

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-N'-[(1R)-1-(4-methoxyphenyl)ethyl]oxamide?
The IUPAC name of N-[(2S)-butan-2-yl]-N'-[(1R)-1-(4-methoxyphenyl)ethyl]oxamide (CID 124605637) is N-[(2S)-butan-2-yl]-N'-[(1R)-1-(4-methoxyphenyl)ethyl]oxamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-N'-[(1R)-1-(4-methoxyphenyl)ethyl]oxamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-N'-[(1R)-1-(4-methoxyphenyl)ethyl]oxamide is CC[C@H](C)NC(=O)C(=O)N[C@H](C)c1ccc(OC)cc1.
What is the InChIKey of N-[(2S)-butan-2-yl]-N'-[(1R)-1-(4-methoxyphenyl)ethyl]oxamide?
The InChIKey is JSKUIQKVOJJOIH-WDEREUQCSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-5-10(2)16-14(18)15(19)17-11(3)12-6-8-13(20-4)9-7-12/h6-11H,5H2,1-4H3,(H,16,18)(H,17,19)/t10-,11+/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-N'-[(1R)-1-(4-methoxyphenyl)ethyl]oxamide?
N-[(2S)-butan-2-yl]-N'-[(1R)-1-(4-methoxyphenyl)ethyl]oxamide has a molecular weight of 278.35 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-N'-[(1R)-1-(4-methoxyphenyl)ethyl]oxamide is sourced from PubChem (CID 124605637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).