N-[(4R,5S)-4,5-dihydroxycycloheptyl]-N'-(3,5-dimethylphenyl)oxamide

C17H24N2O4 — CID 154784991

IUPACN-[(4R,5S)-4,5-dihydroxycycloheptyl]-N'-(3,5-dimethylphenyl)oxamide
SMILESCc1cc(C)cc(NC(=O)C(=O)NC2CC[C@@H](O)[C@@H](O)CC2)c1
InChIInChI=1S/C17H24N2O4/c1-10-7-11(2)9-13(8-10)19-17(23)16(22)18-12-3-5-14(20)15(21)6-4-12/h7-9,12,14-15,20-21H,3-6H2,1-2H3,(H,18,22)(H,19,23)/t12?,14-,15+
InChIKeyYWUHMKDYXYEGJN-LQDVMPOASA-N
MW320.39 g/mol
LogP1.02
Rot. Bonds2

About N-[(4R,5S)-4,5-dihydroxycycloheptyl]-N'-(3,5-dimethylphenyl)oxamide

N-[(4R,5S)-4,5-dihydroxycycloheptyl]-N'-(3,5-dimethylphenyl)oxamide (PubChem CID 154784991) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-[(4R,5S)-4,5-dihydroxycycloheptyl]-N'-(3,5-dimethylphenyl)oxamide.

Molecular Properties

Compound NameN-[(4R,5S)-4,5-dihydroxycycloheptyl]-N'-(3,5-dimethylphenyl)oxamide
PubChem CID154784991
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC NameN-[(4R,5S)-4,5-dihydroxycycloheptyl]-N'-(3,5-dimethylphenyl)oxamide
SMILESCc1cc(C)cc(NC(=O)C(=O)NC2CC[C@@H](O)[C@@H](O)CC2)c1
InChIInChI=1S/C17H24N2O4/c1-10-7-11(2)9-13(8-10)19-17(23)16(22)18-12-3-5-14(20)15(21)6-4-12/h7-9,12,14-15,20-21H,3-6H2,1-2H3,(H,18,22)(H,19,23)/t12?,14-,15+
InChIKeyYWUHMKDYXYEGJN-LQDVMPOASA-N
XLogP1.02
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-N-cyclopropyl-1-N-(3,5-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109130914
N-(4-ethylcyclohexyl)-N'-(3-methylphenyl)oxamide
CID 124505061
N-cycloheptyl-N'-(4-methylphenyl)oxamide
CID 2287607
N-cyclododecyl-N'-(4-methylphenyl)oxamide
CID 2924110
N'-(3,5-dimethylphenyl)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxamide
CID 111798540
N-cyclopropyl-N'-(2-hydroxy-5-methylphenyl)oxamide
CID 108522760
N'-(3,5-dimethylphenyl)-N-phenyloxamide
CID 44996455
N-cyclopropyl-N'-(3,4-dichlorophenyl)oxamide
CID 2193894
N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-N'-(3-methylphenyl)oxamide
CID 56803510
N-cyclopentyl-N'-(3,4,5-trimethoxyphenyl)oxamide
CID 108984057
N-(3,5-dimethylphenyl)-2-hydroxycyclopentane-1-carboxamide
CID 110013635
N'-(4-bromophenyl)-N-(4-ethylcyclohexyl)oxamide
CID 124505043

Frequently Asked Questions

What is the IUPAC name of N-[(4R,5S)-4,5-dihydroxycycloheptyl]-N'-(3,5-dimethylphenyl)oxamide?
The IUPAC name of N-[(4R,5S)-4,5-dihydroxycycloheptyl]-N'-(3,5-dimethylphenyl)oxamide (CID 154784991) is N-[(4R,5S)-4,5-dihydroxycycloheptyl]-N'-(3,5-dimethylphenyl)oxamide.
What is the SMILES notation for N-[(4R,5S)-4,5-dihydroxycycloheptyl]-N'-(3,5-dimethylphenyl)oxamide?
The canonical SMILES for N-[(4R,5S)-4,5-dihydroxycycloheptyl]-N'-(3,5-dimethylphenyl)oxamide is Cc1cc(C)cc(NC(=O)C(=O)NC2CC[C@@H](O)[C@@H](O)CC2)c1.
What is the InChIKey of N-[(4R,5S)-4,5-dihydroxycycloheptyl]-N'-(3,5-dimethylphenyl)oxamide?
The InChIKey is YWUHMKDYXYEGJN-LQDVMPOASA-N. The full InChI is InChI=1S/C17H24N2O4/c1-10-7-11(2)9-13(8-10)19-17(23)16(22)18-12-3-5-14(20)15(21)6-4-12/h7-9,12,14-15,20-21H,3-6H2,1-2H3,(H,18,22)(H,19,23)/t12?,14-,15+.
What are the key properties of N-[(4R,5S)-4,5-dihydroxycycloheptyl]-N'-(3,5-dimethylphenyl)oxamide?
N-[(4R,5S)-4,5-dihydroxycycloheptyl]-N'-(3,5-dimethylphenyl)oxamide has a molecular weight of 320.39 g/mol, XLogP of 1.02, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R,5S)-4,5-dihydroxycycloheptyl]-N'-(3,5-dimethylphenyl)oxamide is sourced from PubChem (CID 154784991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).