4-butyl-N-(morpholin-2-ylmethyl)cyclohexane-1-carboxamide

C16H30N2O2 — CID 43603024

IUPAC4-butyl-N-(morpholin-2-ylmethyl)cyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)NCC2CNCCO2)CC1
InChIInChI=1S/C16H30N2O2/c1-2-3-4-13-5-7-14(8-6-13)16(19)18-12-15-11-17-9-10-20-15/h13-15,17H,2-12H2,1H3,(H,18,19)
InChIKeyJKQQPAHJJBUAHL-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.09
Rot. Bonds6

About 4-butyl-N-(morpholin-2-ylmethyl)cyclohexane-1-carboxamide

4-butyl-N-(morpholin-2-ylmethyl)cyclohexane-1-carboxamide (PubChem CID 43603024) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 4-butyl-N-(morpholin-2-ylmethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-butyl-N-(morpholin-2-ylmethyl)cyclohexane-1-carboxamide
PubChem CID43603024
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name4-butyl-N-(morpholin-2-ylmethyl)cyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)NCC2CNCCO2)CC1
InChIInChI=1S/C16H30N2O2/c1-2-3-4-13-5-7-14(8-6-13)16(19)18-12-15-11-17-9-10-20-15/h13-15,17H,2-12H2,1H3,(H,18,19)
InChIKeyJKQQPAHJJBUAHL-UHFFFAOYSA-N
XLogP2.09
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-(morpholin-2-ylmethyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-butyl-N-(morpholin-2-ylmethyl)cyclohexane-1-carboxamide (CID 43603024) is 4-butyl-N-(morpholin-2-ylmethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-butyl-N-(morpholin-2-ylmethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-butyl-N-(morpholin-2-ylmethyl)cyclohexane-1-carboxamide is CCCCC1CCC(C(=O)NCC2CNCCO2)CC1.
What is the InChIKey of 4-butyl-N-(morpholin-2-ylmethyl)cyclohexane-1-carboxamide?
The InChIKey is JKQQPAHJJBUAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-2-3-4-13-5-7-14(8-6-13)16(19)18-12-15-11-17-9-10-20-15/h13-15,17H,2-12H2,1H3,(H,18,19).
What are the key properties of 4-butyl-N-(morpholin-2-ylmethyl)cyclohexane-1-carboxamide?
4-butyl-N-(morpholin-2-ylmethyl)cyclohexane-1-carboxamide has a molecular weight of 282.43 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-(morpholin-2-ylmethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 43603024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).