N-(4-carbamoyl-3-methylphenyl)-N'-[(1R)-1,4-diphenylbutyl]oxamide

C26H27N3O3 — CID 97003698

IUPACN-(4-carbamoyl-3-methylphenyl)-N'-[(1R)-1,4-diphenylbutyl]oxamide
SMILESCc1cc(NC(=O)C(=O)N[C@H](CCCc2ccccc2)c2ccccc2)ccc1C(N)=O
InChIInChI=1S/C26H27N3O3/c1-18-17-21(15-16-22(18)24(27)30)28-25(31)26(32)29-23(20-12-6-3-7-13-20)14-8-11-19-9-4-2-5-10-19/h2-7,9-10,12-13,15-17,23H,8,11,14H2,1H3,(H2,27,30)(H,28,31)(H,29,32)/t23-/m1/s1
InChIKeyBYPOAPJTTFSVQL-HSZRJFAPSA-N
MW429.52 g/mol
LogP3.91
Rot. Bonds8

About N-(4-carbamoyl-3-methylphenyl)-N'-[(1R)-1,4-diphenylbutyl]oxamide

N-(4-carbamoyl-3-methylphenyl)-N'-[(1R)-1,4-diphenylbutyl]oxamide (PubChem CID 97003698) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is N-(4-carbamoyl-3-methylphenyl)-N'-[(1R)-1,4-diphenylbutyl]oxamide.

Molecular Properties

Compound NameN-(4-carbamoyl-3-methylphenyl)-N'-[(1R)-1,4-diphenylbutyl]oxamide
PubChem CID97003698
Molecular FormulaC26H27N3O3
Molecular Weight429.52 g/mol
Exact Mass429.21
IUPAC NameN-(4-carbamoyl-3-methylphenyl)-N'-[(1R)-1,4-diphenylbutyl]oxamide
SMILESCc1cc(NC(=O)C(=O)N[C@H](CCCc2ccccc2)c2ccccc2)ccc1C(N)=O
InChIInChI=1S/C26H27N3O3/c1-18-17-21(15-16-22(18)24(27)30)28-25(31)26(32)29-23(20-12-6-3-7-13-20)14-8-11-19-9-4-2-5-10-19/h2-7,9-10,12-13,15-17,23H,8,11,14H2,1H3,(H2,27,30)(H,28,31)(H,29,32)/t23-/m1/s1
InChIKeyBYPOAPJTTFSVQL-HSZRJFAPSA-N
XLogP3.91
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoyl-3-methylphenyl)-N'-[(1R)-1,4-diphenylbutyl]oxamide?
The IUPAC name of N-(4-carbamoyl-3-methylphenyl)-N'-[(1R)-1,4-diphenylbutyl]oxamide (CID 97003698) is N-(4-carbamoyl-3-methylphenyl)-N'-[(1R)-1,4-diphenylbutyl]oxamide.
What is the SMILES notation for N-(4-carbamoyl-3-methylphenyl)-N'-[(1R)-1,4-diphenylbutyl]oxamide?
The canonical SMILES for N-(4-carbamoyl-3-methylphenyl)-N'-[(1R)-1,4-diphenylbutyl]oxamide is Cc1cc(NC(=O)C(=O)N[C@H](CCCc2ccccc2)c2ccccc2)ccc1C(N)=O.
What is the InChIKey of N-(4-carbamoyl-3-methylphenyl)-N'-[(1R)-1,4-diphenylbutyl]oxamide?
The InChIKey is BYPOAPJTTFSVQL-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H27N3O3/c1-18-17-21(15-16-22(18)24(27)30)28-25(31)26(32)29-23(20-12-6-3-7-13-20)14-8-11-19-9-4-2-5-10-19/h2-7,9-10,12-13,15-17,23H,8,11,14H2,1H3,(H2,27,30)(H,28,31)(H,29,32)/t23-/m1/s1.
What are the key properties of N-(4-carbamoyl-3-methylphenyl)-N'-[(1R)-1,4-diphenylbutyl]oxamide?
N-(4-carbamoyl-3-methylphenyl)-N'-[(1R)-1,4-diphenylbutyl]oxamide has a molecular weight of 429.52 g/mol, XLogP of 3.91, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoyl-3-methylphenyl)-N'-[(1R)-1,4-diphenylbutyl]oxamide is sourced from PubChem (CID 97003698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).