N-(2-methylpropyl)-N'-[(1-phenylcyclopentyl)methyl]oxamide

C18H26N2O2 — CID 40566076

IUPACN-(2-methylpropyl)-N'-[(1-phenylcyclopentyl)methyl]oxamide
SMILESCC(C)CNC(=O)C(=O)NCC1(c2ccccc2)CCCC1
InChIInChI=1S/C18H26N2O2/c1-14(2)12-19-16(21)17(22)20-13-18(10-6-7-11-18)15-8-4-3-5-9-15/h3-5,8-9,14H,6-7,10-13H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyYPVWPBBVZZEUNH-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.39
Rot. Bonds5

About N-(2-methylpropyl)-N'-[(1-phenylcyclopentyl)methyl]oxamide

N-(2-methylpropyl)-N'-[(1-phenylcyclopentyl)methyl]oxamide (PubChem CID 40566076) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-(2-methylpropyl)-N'-[(1-phenylcyclopentyl)methyl]oxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-N'-[(1-phenylcyclopentyl)methyl]oxamide
PubChem CID40566076
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC NameN-(2-methylpropyl)-N'-[(1-phenylcyclopentyl)methyl]oxamide
SMILESCC(C)CNC(=O)C(=O)NCC1(c2ccccc2)CCCC1
InChIInChI=1S/C18H26N2O2/c1-14(2)12-19-16(21)17(22)20-13-18(10-6-7-11-18)15-8-4-3-5-9-15/h3-5,8-9,14H,6-7,10-13H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyYPVWPBBVZZEUNH-UHFFFAOYSA-N
XLogP2.39
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.39
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'-[(2S)-4-phenylbutan-2-yl]-N-[(1-phenylcyclopentyl)methyl]oxamide
CID 7270600
(2R)-2-amino-N-[(1-phenylcycloheptyl)methyl]propanamide;hydrochloride
CID 119316389
(2S)-N-[(1-phenylcyclopentyl)methyl]-2-pyrrolidin-1-ium-1-ylpropanamide
CID 6935034
N',N'-bis(2-hydroxyethyl)-N-[(1-phenylcyclopentyl)methyl]oxamide
CID 3749480
2-amino-2-methyl-N-[(1-phenylcyclopentyl)methyl]propanamide
CID 110480032
N'-[(4-phenyloxan-4-yl)methyl]-N-propyloxamide
CID 27451627
1-[(1-phenylcyclohexyl)methyl]-3-(2-propan-2-ylphenyl)urea
CID 14977491
N-[(1-phenylcyclopentyl)methyl]-2-piperidin-1-ium-1-ylpropanamide chloride
CID 44655127
4-(2-methylpropoxy)-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 1120192
2-[4-(2-methylpropyl)piperazin-1-yl]-N-[(1-phenylcyclohexyl)methyl]acetamide
CID 78899021
N-[(1-phenylcyclohexyl)methyl]propan-2-amine
CID 62596577
1-(5-methylhexan-2-yl)-3-[(1-phenylcyclopropyl)methyl]urea
CID 112828675

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-N'-[(1-phenylcyclopentyl)methyl]oxamide?
The IUPAC name of N-(2-methylpropyl)-N'-[(1-phenylcyclopentyl)methyl]oxamide (CID 40566076) is N-(2-methylpropyl)-N'-[(1-phenylcyclopentyl)methyl]oxamide.
What is the SMILES notation for N-(2-methylpropyl)-N'-[(1-phenylcyclopentyl)methyl]oxamide?
The canonical SMILES for N-(2-methylpropyl)-N'-[(1-phenylcyclopentyl)methyl]oxamide is CC(C)CNC(=O)C(=O)NCC1(c2ccccc2)CCCC1.
What is the InChIKey of N-(2-methylpropyl)-N'-[(1-phenylcyclopentyl)methyl]oxamide?
The InChIKey is YPVWPBBVZZEUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-14(2)12-19-16(21)17(22)20-13-18(10-6-7-11-18)15-8-4-3-5-9-15/h3-5,8-9,14H,6-7,10-13H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-(2-methylpropyl)-N'-[(1-phenylcyclopentyl)methyl]oxamide?
N-(2-methylpropyl)-N'-[(1-phenylcyclopentyl)methyl]oxamide has a molecular weight of 302.42 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-N'-[(1-phenylcyclopentyl)methyl]oxamide is sourced from PubChem (CID 40566076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).