N-(2-morpholin-4-ylethyl)-4-pentylcyclohexane-1-carboxamide

C18H34N2O2 — CID 3731631

IUPACN-(2-morpholin-4-ylethyl)-4-pentylcyclohexane-1-carboxamide
SMILESCCCCCC1CCC(C(=O)NCCN2CCOCC2)CC1
InChIInChI=1S/C18H34N2O2/c1-2-3-4-5-16-6-8-17(9-7-16)18(21)19-10-11-20-12-14-22-15-13-20/h16-17H,2-15H2,1H3,(H,19,21)
InChIKeyRMQXTCRZQKXGJJ-UHFFFAOYSA-N
MW310.48 g/mol
LogP2.82
Rot. Bonds8

About N-(2-morpholin-4-ylethyl)-4-pentylcyclohexane-1-carboxamide

N-(2-morpholin-4-ylethyl)-4-pentylcyclohexane-1-carboxamide (PubChem CID 3731631) has the molecular formula C18H34N2O2 and a molecular weight of 310.48 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-4-pentylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-4-pentylcyclohexane-1-carboxamide
PubChem CID3731631
Molecular FormulaC18H34N2O2
Molecular Weight310.48 g/mol
Exact Mass310.26
IUPAC NameN-(2-morpholin-4-ylethyl)-4-pentylcyclohexane-1-carboxamide
SMILESCCCCCC1CCC(C(=O)NCCN2CCOCC2)CC1
InChIInChI=1S/C18H34N2O2/c1-2-3-4-5-16-6-8-17(9-7-16)18(21)19-10-11-20-12-14-22-15-13-20/h16-17H,2-15H2,1H3,(H,19,21)
InChIKeyRMQXTCRZQKXGJJ-UHFFFAOYSA-N
XLogP2.82
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.48
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-4-pentylcyclohexane-1-carboxamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-4-pentylcyclohexane-1-carboxamide (CID 3731631) is N-(2-morpholin-4-ylethyl)-4-pentylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-4-pentylcyclohexane-1-carboxamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-4-pentylcyclohexane-1-carboxamide is CCCCCC1CCC(C(=O)NCCN2CCOCC2)CC1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-4-pentylcyclohexane-1-carboxamide?
The InChIKey is RMQXTCRZQKXGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O2/c1-2-3-4-5-16-6-8-17(9-7-16)18(21)19-10-11-20-12-14-22-15-13-20/h16-17H,2-15H2,1H3,(H,19,21).
What are the key properties of N-(2-morpholin-4-ylethyl)-4-pentylcyclohexane-1-carboxamide?
N-(2-morpholin-4-ylethyl)-4-pentylcyclohexane-1-carboxamide has a molecular weight of 310.48 g/mol, XLogP of 2.82, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-4-pentylcyclohexane-1-carboxamide is sourced from PubChem (CID 3731631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).