N-[2-cyclohexyl-2-[(4-methylmorpholine-3-carbonyl)amino]ethyl]-4-methylmorpholine-3-carboxamide

C20H36N4O4 — CID 127723895

IUPACN-[2-cyclohexyl-2-[(4-methylmorpholine-3-carbonyl)amino]ethyl]-4-methylmorpholine-3-carboxamide
SMILESCN1CCOCC1C(=O)NCC(NC(=O)C1COCCN1C)C1CCCCC1
InChIInChI=1S/C20H36N4O4/c1-23-8-10-27-13-17(23)19(25)21-12-16(15-6-4-3-5-7-15)22-20(26)18-14-28-11-9-24(18)2/h15-18H,3-14H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyPTJHSTPHOFUWRM-UHFFFAOYSA-N
MW396.53 g/mol
LogP-0.17
Rot. Bonds6

About N-[2-cyclohexyl-2-[(4-methylmorpholine-3-carbonyl)amino]ethyl]-4-methylmorpholine-3-carboxamide

N-[2-cyclohexyl-2-[(4-methylmorpholine-3-carbonyl)amino]ethyl]-4-methylmorpholine-3-carboxamide (PubChem CID 127723895) has the molecular formula C20H36N4O4 and a molecular weight of 396.53 g/mol. Its IUPAC name is N-[2-cyclohexyl-2-[(4-methylmorpholine-3-carbonyl)amino]ethyl]-4-methylmorpholine-3-carboxamide.

Molecular Properties

Compound NameN-[2-cyclohexyl-2-[(4-methylmorpholine-3-carbonyl)amino]ethyl]-4-methylmorpholine-3-carboxamide
PubChem CID127723895
Molecular FormulaC20H36N4O4
Molecular Weight396.53 g/mol
Exact Mass396.27
IUPAC NameN-[2-cyclohexyl-2-[(4-methylmorpholine-3-carbonyl)amino]ethyl]-4-methylmorpholine-3-carboxamide
SMILESCN1CCOCC1C(=O)NCC(NC(=O)C1COCCN1C)C1CCCCC1
InChIInChI=1S/C20H36N4O4/c1-23-8-10-27-13-17(23)19(25)21-12-16(15-6-4-3-5-7-15)22-20(26)18-14-28-11-9-24(18)2/h15-18H,3-14H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyPTJHSTPHOFUWRM-UHFFFAOYSA-N
XLogP-0.17
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-cyclohexyl-2-[(4-methylmorpholine-3-carbonyl)amino]ethyl]-4-methylmorpholine-3-carboxamide?
The IUPAC name of N-[2-cyclohexyl-2-[(4-methylmorpholine-3-carbonyl)amino]ethyl]-4-methylmorpholine-3-carboxamide (CID 127723895) is N-[2-cyclohexyl-2-[(4-methylmorpholine-3-carbonyl)amino]ethyl]-4-methylmorpholine-3-carboxamide.
What is the SMILES notation for N-[2-cyclohexyl-2-[(4-methylmorpholine-3-carbonyl)amino]ethyl]-4-methylmorpholine-3-carboxamide?
The canonical SMILES for N-[2-cyclohexyl-2-[(4-methylmorpholine-3-carbonyl)amino]ethyl]-4-methylmorpholine-3-carboxamide is CN1CCOCC1C(=O)NCC(NC(=O)C1COCCN1C)C1CCCCC1.
What is the InChIKey of N-[2-cyclohexyl-2-[(4-methylmorpholine-3-carbonyl)amino]ethyl]-4-methylmorpholine-3-carboxamide?
The InChIKey is PTJHSTPHOFUWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N4O4/c1-23-8-10-27-13-17(23)19(25)21-12-16(15-6-4-3-5-7-15)22-20(26)18-14-28-11-9-24(18)2/h15-18H,3-14H2,1-2H3,(H,21,25)(H,22,26).
What are the key properties of N-[2-cyclohexyl-2-[(4-methylmorpholine-3-carbonyl)amino]ethyl]-4-methylmorpholine-3-carboxamide?
N-[2-cyclohexyl-2-[(4-methylmorpholine-3-carbonyl)amino]ethyl]-4-methylmorpholine-3-carboxamide has a molecular weight of 396.53 g/mol, XLogP of -0.17, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclohexyl-2-[(4-methylmorpholine-3-carbonyl)amino]ethyl]-4-methylmorpholine-3-carboxamide is sourced from PubChem (CID 127723895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).