N-(4-butylphenyl)-N'-[(1R)-1-phenylethyl]oxamide

C20H24N2O2 — CID 2290937

IUPACN-(4-butylphenyl)-N'-[(1R)-1-phenylethyl]oxamide
SMILESCCCCc1ccc(NC(=O)C(=O)N[C@H](C)c2ccccc2)cc1
InChIInChI=1S/C20H24N2O2/c1-3-4-8-16-11-13-18(14-12-16)22-20(24)19(23)21-15(2)17-9-6-5-7-10-17/h5-7,9-15H,3-4,8H2,1-2H3,(H,21,23)(H,22,24)/t15-/m1/s1
InChIKeyAJESHRGMSYCDPZ-OAHLLOKOSA-N
MW324.42 g/mol
LogP3.85
Rot. Bonds6

About N-(4-butylphenyl)-N'-[(1R)-1-phenylethyl]oxamide

N-(4-butylphenyl)-N'-[(1R)-1-phenylethyl]oxamide (PubChem CID 2290937) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is N-(4-butylphenyl)-N'-[(1R)-1-phenylethyl]oxamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-N'-[(1R)-1-phenylethyl]oxamide
PubChem CID2290937
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC NameN-(4-butylphenyl)-N'-[(1R)-1-phenylethyl]oxamide
SMILESCCCCc1ccc(NC(=O)C(=O)N[C@H](C)c2ccccc2)cc1
InChIInChI=1S/C20H24N2O2/c1-3-4-8-16-11-13-18(14-12-16)22-20(24)19(23)21-15(2)17-9-6-5-7-10-17/h5-7,9-15H,3-4,8H2,1-2H3,(H,21,23)(H,22,24)/t15-/m1/s1
InChIKeyAJESHRGMSYCDPZ-OAHLLOKOSA-N
XLogP3.85
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis(4-butylphenyl)oxamide
CID 3438016
N-(4-iodophenyl)-N'-(1-phenylethyl)oxamide
CID 108507943
(2R)-N-(4-butylphenyl)-2-methoxy-2-phenylacetamide
CID 2207661
4-heptyl-N-(1-phenylethyl)benzamide
CID 4027314
N-[4-(2-methylpropoxy)phenyl]-N'-[(1R)-1-phenylethyl]oxamide
CID 40977489
N-octyl-N'-[(1R)-1-phenylethyl]oxamide
CID 124544737
N',N'-dibutyl-N-(1-phenylethyl)oxamide
CID 108507880
N-(4-butylphenyl)-N'-naphthalen-1-yloxamide
CID 108502463
N'-(4-butylphenyl)-N-pentyloxamide
CID 108502416
N-(4-butylphenyl)-4-phenylbutanamide
CID 7313944
N'-[(1S)-1-phenylethyl]-N-(2-phenylethyl)oxamide
CID 2249935
2-(benzylamino)-N-(4-butylphenyl)-2-sulfanylideneacetamide
CID 4005659

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-N'-[(1R)-1-phenylethyl]oxamide?
The IUPAC name of N-(4-butylphenyl)-N'-[(1R)-1-phenylethyl]oxamide (CID 2290937) is N-(4-butylphenyl)-N'-[(1R)-1-phenylethyl]oxamide.
What is the SMILES notation for N-(4-butylphenyl)-N'-[(1R)-1-phenylethyl]oxamide?
The canonical SMILES for N-(4-butylphenyl)-N'-[(1R)-1-phenylethyl]oxamide is CCCCc1ccc(NC(=O)C(=O)N[C@H](C)c2ccccc2)cc1.
What is the InChIKey of N-(4-butylphenyl)-N'-[(1R)-1-phenylethyl]oxamide?
The InChIKey is AJESHRGMSYCDPZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-3-4-8-16-11-13-18(14-12-16)22-20(24)19(23)21-15(2)17-9-6-5-7-10-17/h5-7,9-15H,3-4,8H2,1-2H3,(H,21,23)(H,22,24)/t15-/m1/s1.
What are the key properties of N-(4-butylphenyl)-N'-[(1R)-1-phenylethyl]oxamide?
N-(4-butylphenyl)-N'-[(1R)-1-phenylethyl]oxamide has a molecular weight of 324.42 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-N'-[(1R)-1-phenylethyl]oxamide is sourced from PubChem (CID 2290937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).