N-(4-ethylcyclohexyl)-4-propan-2-yloxycyclohexane-1-carboxamide

C18H33NO2 — CID 177134529

IUPACN-(4-ethylcyclohexyl)-4-propan-2-yloxycyclohexane-1-carboxamide
SMILESCCC1CCC(NC(=O)C2CCC(OC(C)C)CC2)CC1
InChIInChI=1S/C18H33NO2/c1-4-14-5-9-16(10-6-14)19-18(20)15-7-11-17(12-8-15)21-13(2)3/h13-17H,4-12H2,1-3H3,(H,19,20)
InChIKeyPWROBPJEEILQQT-UHFFFAOYSA-N
MW295.47 g/mol
LogP4.06
Rot. Bonds5

About N-(4-ethylcyclohexyl)-4-propan-2-yloxycyclohexane-1-carboxamide

N-(4-ethylcyclohexyl)-4-propan-2-yloxycyclohexane-1-carboxamide (PubChem CID 177134529) has the molecular formula C18H33NO2 and a molecular weight of 295.47 g/mol. Its IUPAC name is N-(4-ethylcyclohexyl)-4-propan-2-yloxycyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(4-ethylcyclohexyl)-4-propan-2-yloxycyclohexane-1-carboxamide
PubChem CID177134529
Molecular FormulaC18H33NO2
Molecular Weight295.47 g/mol
Exact Mass295.25
IUPAC NameN-(4-ethylcyclohexyl)-4-propan-2-yloxycyclohexane-1-carboxamide
SMILESCCC1CCC(NC(=O)C2CCC(OC(C)C)CC2)CC1
InChIInChI=1S/C18H33NO2/c1-4-14-5-9-16(10-6-14)19-18(20)15-7-11-17(12-8-15)21-13(2)3/h13-17H,4-12H2,1-3H3,(H,19,20)
InChIKeyPWROBPJEEILQQT-UHFFFAOYSA-N
XLogP4.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-[4-(cyclopropanecarbonylamino)cyclohexyl]acetate
CID 121439164
(3R)-1-methyl-5-oxo-N-(4-propan-2-yloxycyclohexyl)pyrrolidine-3-carboxamide
CID 97240549
N-(4-ethylcyclohexyl)-2-methoxypropanamide
CID 115588230
methyl 4-(cyclopropanecarbonylamino)cyclohexane-1-carboxylate
CID 115617179
ethyl 4-[(4-aminocyclohexanecarbonyl)amino]cyclohexane-1-carboxylate
CID 60945042
4-N-(3-ethylcyclopentyl)-1-N-[1-(3-methylcyclopentyl)ethyl]cycloheptane-1,4-dicarboxamide
CID 91255699
3-hydroxy-4-methyl-N-(4-propan-2-yloxycyclohexyl)pentanamide
CID 75387685
N-[4-(ethylamino)cyclohexyl]cyclopropanecarboxamide
CID 43653371
3-[(4-ethylcyclohexyl)amino]-2-methyl-3-oxopropanoic acid
CID 114898215
N-[4-(2-methylpropanoyl)cyclohexyl]-3-(4-propan-2-yloxycyclohexyl)oxypropanamide
CID 169158788
N-(4-ethylcyclohexyl)-5-oxopyrrolidine-3-carboxamide
CID 78981785
N-(4-acetylcyclohexyl)-4-(4-propan-2-yloxycyclohexyl)oxybutanamide;ethane;molecular hydrogen
CID 178082611

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylcyclohexyl)-4-propan-2-yloxycyclohexane-1-carboxamide?
The IUPAC name of N-(4-ethylcyclohexyl)-4-propan-2-yloxycyclohexane-1-carboxamide (CID 177134529) is N-(4-ethylcyclohexyl)-4-propan-2-yloxycyclohexane-1-carboxamide.
What is the SMILES notation for N-(4-ethylcyclohexyl)-4-propan-2-yloxycyclohexane-1-carboxamide?
The canonical SMILES for N-(4-ethylcyclohexyl)-4-propan-2-yloxycyclohexane-1-carboxamide is CCC1CCC(NC(=O)C2CCC(OC(C)C)CC2)CC1.
What is the InChIKey of N-(4-ethylcyclohexyl)-4-propan-2-yloxycyclohexane-1-carboxamide?
The InChIKey is PWROBPJEEILQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO2/c1-4-14-5-9-16(10-6-14)19-18(20)15-7-11-17(12-8-15)21-13(2)3/h13-17H,4-12H2,1-3H3,(H,19,20).
What are the key properties of N-(4-ethylcyclohexyl)-4-propan-2-yloxycyclohexane-1-carboxamide?
N-(4-ethylcyclohexyl)-4-propan-2-yloxycyclohexane-1-carboxamide has a molecular weight of 295.47 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylcyclohexyl)-4-propan-2-yloxycyclohexane-1-carboxamide is sourced from PubChem (CID 177134529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).