N-[4-(2-methylpropoxy)phenyl]-N'-[(1R)-1-phenylethyl]oxamide

C20H24N2O3 — CID 40977489

IUPACN-[4-(2-methylpropoxy)phenyl]-N'-[(1R)-1-phenylethyl]oxamide
SMILESCC(C)COc1ccc(NC(=O)C(=O)N[C@H](C)c2ccccc2)cc1
InChIInChI=1S/C20H24N2O3/c1-14(2)13-25-18-11-9-17(10-12-18)22-20(24)19(23)21-15(3)16-7-5-4-6-8-16/h4-12,14-15H,13H2,1-3H3,(H,21,23)(H,22,24)/t15-/m1/s1
InChIKeyZMVCDFPPRDXXKV-OAHLLOKOSA-N
MW340.42 g/mol
LogP3.54
Rot. Bonds6

About N-[4-(2-methylpropoxy)phenyl]-N'-[(1R)-1-phenylethyl]oxamide

N-[4-(2-methylpropoxy)phenyl]-N'-[(1R)-1-phenylethyl]oxamide (PubChem CID 40977489) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-[4-(2-methylpropoxy)phenyl]-N'-[(1R)-1-phenylethyl]oxamide.

Molecular Properties

Compound NameN-[4-(2-methylpropoxy)phenyl]-N'-[(1R)-1-phenylethyl]oxamide
PubChem CID40977489
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-[4-(2-methylpropoxy)phenyl]-N'-[(1R)-1-phenylethyl]oxamide
SMILESCC(C)COc1ccc(NC(=O)C(=O)N[C@H](C)c2ccccc2)cc1
InChIInChI=1S/C20H24N2O3/c1-14(2)13-25-18-11-9-17(10-12-18)22-20(24)19(23)21-15(3)16-7-5-4-6-8-16/h4-12,14-15H,13H2,1-3H3,(H,21,23)(H,22,24)/t15-/m1/s1
InChIKeyZMVCDFPPRDXXKV-OAHLLOKOSA-N
XLogP3.54
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(2-methylpropoxy)anilino]-2-oxoacetic acid
CID 82496954
4-[[4-(2-methylpropoxy)benzoyl]carbamothioylamino]-N-(1-phenylethyl)benzamide
CID 43887960
N-(4-iodophenyl)-N'-(1-phenylethyl)oxamide
CID 108507943
N-(4-ethoxyphenyl)-2-[[(1S)-1-phenylethyl]amino]-2-sulfanylideneacetamide
CID 7375064
N-(4-butylphenyl)-N'-[(1R)-1-phenylethyl]oxamide
CID 2290937
N-[[4-(2-methylpropoxy)phenyl]carbamothioyl]-2,2-diphenylacetamide
CID 4940733
1-[4-(2-methylpropoxy)phenyl]-3-phenylthiourea
CID 4940469
N'-(4-ethoxyphenyl)-N-[(2R)-2-phenylpropyl]oxamide
CID 40977164
N-[4-[(2S)-2-hydroxy-3-[[(1S)-1-phenylethyl]amino]propoxy]phenyl]acetamide
CID 40616157
N-(3,4-dimethylphenyl)-N'-[(1R)-1-(4-ethoxyphenyl)ethyl]oxamide
CID 94536642
N-[4-(2-methylpropoxy)phenyl]-4-phenylmethoxybenzamide
CID 4958406
3-[4-(2-methylpropoxy)phenyl]-2-phenylpropanoic acid
CID 82160480

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylpropoxy)phenyl]-N'-[(1R)-1-phenylethyl]oxamide?
The IUPAC name of N-[4-(2-methylpropoxy)phenyl]-N'-[(1R)-1-phenylethyl]oxamide (CID 40977489) is N-[4-(2-methylpropoxy)phenyl]-N'-[(1R)-1-phenylethyl]oxamide.
What is the SMILES notation for N-[4-(2-methylpropoxy)phenyl]-N'-[(1R)-1-phenylethyl]oxamide?
The canonical SMILES for N-[4-(2-methylpropoxy)phenyl]-N'-[(1R)-1-phenylethyl]oxamide is CC(C)COc1ccc(NC(=O)C(=O)N[C@H](C)c2ccccc2)cc1.
What is the InChIKey of N-[4-(2-methylpropoxy)phenyl]-N'-[(1R)-1-phenylethyl]oxamide?
The InChIKey is ZMVCDFPPRDXXKV-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-14(2)13-25-18-11-9-17(10-12-18)22-20(24)19(23)21-15(3)16-7-5-4-6-8-16/h4-12,14-15H,13H2,1-3H3,(H,21,23)(H,22,24)/t15-/m1/s1.
What are the key properties of N-[4-(2-methylpropoxy)phenyl]-N'-[(1R)-1-phenylethyl]oxamide?
N-[4-(2-methylpropoxy)phenyl]-N'-[(1R)-1-phenylethyl]oxamide has a molecular weight of 340.42 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylpropoxy)phenyl]-N'-[(1R)-1-phenylethyl]oxamide is sourced from PubChem (CID 40977489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).