N-(4-hydroxycyclohexyl)-3-propan-2-ylcyclohexane-1-carboxamide

C16H29NO2 — CID 20697997

IUPACN-(4-hydroxycyclohexyl)-3-propan-2-ylcyclohexane-1-carboxamide
SMILESCC(C)C1CCCC(C(=O)NC2CCC(O)CC2)C1
InChIInChI=1S/C16H29NO2/c1-11(2)12-4-3-5-13(10-12)16(19)17-14-6-8-15(18)9-7-14/h11-15,18H,3-10H2,1-2H3,(H,17,19)
InChIKeyWSTLFUJQQNTEGP-UHFFFAOYSA-N
MW267.41 g/mol
LogP2.87
Rot. Bonds3

About N-(4-hydroxycyclohexyl)-3-propan-2-ylcyclohexane-1-carboxamide

N-(4-hydroxycyclohexyl)-3-propan-2-ylcyclohexane-1-carboxamide (PubChem CID 20697997) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-3-propan-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-3-propan-2-ylcyclohexane-1-carboxamide
PubChem CID20697997
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC NameN-(4-hydroxycyclohexyl)-3-propan-2-ylcyclohexane-1-carboxamide
SMILESCC(C)C1CCCC(C(=O)NC2CCC(O)CC2)C1
InChIInChI=1S/C16H29NO2/c1-11(2)12-4-3-5-13(10-12)16(19)17-14-6-8-15(18)9-7-14/h11-15,18H,3-10H2,1-2H3,(H,17,19)
InChIKeyWSTLFUJQQNTEGP-UHFFFAOYSA-N
XLogP2.87
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-3-propan-2-ylcyclohexane-1-carboxamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-3-propan-2-ylcyclohexane-1-carboxamide (CID 20697997) is N-(4-hydroxycyclohexyl)-3-propan-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-3-propan-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-3-propan-2-ylcyclohexane-1-carboxamide is CC(C)C1CCCC(C(=O)NC2CCC(O)CC2)C1.
What is the InChIKey of N-(4-hydroxycyclohexyl)-3-propan-2-ylcyclohexane-1-carboxamide?
The InChIKey is WSTLFUJQQNTEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-11(2)12-4-3-5-13(10-12)16(19)17-14-6-8-15(18)9-7-14/h11-15,18H,3-10H2,1-2H3,(H,17,19).
What are the key properties of N-(4-hydroxycyclohexyl)-3-propan-2-ylcyclohexane-1-carboxamide?
N-(4-hydroxycyclohexyl)-3-propan-2-ylcyclohexane-1-carboxamide has a molecular weight of 267.41 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-3-propan-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 20697997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).