1-[[2-(1-hydroxycyclohexyl)acetyl]amino]-N-(2-methylpropyl)cyclopentane-1-carboxamide

C18H32N2O3 — CID 111564462

IUPAC1-[[2-(1-hydroxycyclohexyl)acetyl]amino]-N-(2-methylpropyl)cyclopentane-1-carboxamide
SMILESCC(C)CNC(=O)C1(NC(=O)CC2(O)CCCCC2)CCCC1
InChIInChI=1S/C18H32N2O3/c1-14(2)13-19-16(22)18(10-6-7-11-18)20-15(21)12-17(23)8-4-3-5-9-17/h14,23H,3-13H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyDHILOGRQZFRTSZ-UHFFFAOYSA-N
MW324.46 g/mol
LogP2.27
Rot. Bonds6

About 1-[[2-(1-hydroxycyclohexyl)acetyl]amino]-N-(2-methylpropyl)cyclopentane-1-carboxamide

1-[[2-(1-hydroxycyclohexyl)acetyl]amino]-N-(2-methylpropyl)cyclopentane-1-carboxamide (PubChem CID 111564462) has the molecular formula C18H32N2O3 and a molecular weight of 324.46 g/mol. Its IUPAC name is 1-[[2-(1-hydroxycyclohexyl)acetyl]amino]-N-(2-methylpropyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-[[2-(1-hydroxycyclohexyl)acetyl]amino]-N-(2-methylpropyl)cyclopentane-1-carboxamide
PubChem CID111564462
Molecular FormulaC18H32N2O3
Molecular Weight324.46 g/mol
Exact Mass324.24
IUPAC Name1-[[2-(1-hydroxycyclohexyl)acetyl]amino]-N-(2-methylpropyl)cyclopentane-1-carboxamide
SMILESCC(C)CNC(=O)C1(NC(=O)CC2(O)CCCCC2)CCCC1
InChIInChI=1S/C18H32N2O3/c1-14(2)13-19-16(22)18(10-6-7-11-18)20-15(21)12-17(23)8-4-3-5-9-17/h14,23H,3-13H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyDHILOGRQZFRTSZ-UHFFFAOYSA-N
XLogP2.27
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.46
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(1-hydroxycyclohexyl)acetyl]amino]-N-(2-methylpropyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-[[2-(1-hydroxycyclohexyl)acetyl]amino]-N-(2-methylpropyl)cyclopentane-1-carboxamide (CID 111564462) is 1-[[2-(1-hydroxycyclohexyl)acetyl]amino]-N-(2-methylpropyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-[[2-(1-hydroxycyclohexyl)acetyl]amino]-N-(2-methylpropyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-[[2-(1-hydroxycyclohexyl)acetyl]amino]-N-(2-methylpropyl)cyclopentane-1-carboxamide is CC(C)CNC(=O)C1(NC(=O)CC2(O)CCCCC2)CCCC1.
What is the InChIKey of 1-[[2-(1-hydroxycyclohexyl)acetyl]amino]-N-(2-methylpropyl)cyclopentane-1-carboxamide?
The InChIKey is DHILOGRQZFRTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O3/c1-14(2)13-19-16(22)18(10-6-7-11-18)20-15(21)12-17(23)8-4-3-5-9-17/h14,23H,3-13H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of 1-[[2-(1-hydroxycyclohexyl)acetyl]amino]-N-(2-methylpropyl)cyclopentane-1-carboxamide?
1-[[2-(1-hydroxycyclohexyl)acetyl]amino]-N-(2-methylpropyl)cyclopentane-1-carboxamide has a molecular weight of 324.46 g/mol, XLogP of 2.27, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(1-hydroxycyclohexyl)acetyl]amino]-N-(2-methylpropyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 111564462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).