4-methyl-N-[3-methyl-1-(3-morpholin-4-ylpropylamino)-1-oxobutan-2-yl]cyclohexane-1-carboxamide

C20H37N3O3 — CID 3243058

IUPAC4-methyl-N-[3-methyl-1-(3-morpholin-4-ylpropylamino)-1-oxobutan-2-yl]cyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)NC(C(=O)NCCCN2CCOCC2)C(C)C)CC1
InChIInChI=1S/C20H37N3O3/c1-15(2)18(22-19(24)17-7-5-16(3)6-8-17)20(25)21-9-4-10-23-11-13-26-14-12-23/h15-18H,4-14H2,1-3H3,(H,21,25)(H,22,24)
InChIKeyDUKYVKPIHXPZSU-UHFFFAOYSA-N
MW367.53 g/mol
LogP1.79
Rot. Bonds8

About 4-methyl-N-[3-methyl-1-(3-morpholin-4-ylpropylamino)-1-oxobutan-2-yl]cyclohexane-1-carboxamide

4-methyl-N-[3-methyl-1-(3-morpholin-4-ylpropylamino)-1-oxobutan-2-yl]cyclohexane-1-carboxamide (PubChem CID 3243058) has the molecular formula C20H37N3O3 and a molecular weight of 367.53 g/mol. Its IUPAC name is 4-methyl-N-[3-methyl-1-(3-morpholin-4-ylpropylamino)-1-oxobutan-2-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[3-methyl-1-(3-morpholin-4-ylpropylamino)-1-oxobutan-2-yl]cyclohexane-1-carboxamide
PubChem CID3243058
Molecular FormulaC20H37N3O3
Molecular Weight367.53 g/mol
Exact Mass367.28
IUPAC Name4-methyl-N-[3-methyl-1-(3-morpholin-4-ylpropylamino)-1-oxobutan-2-yl]cyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)NC(C(=O)NCCCN2CCOCC2)C(C)C)CC1
InChIInChI=1S/C20H37N3O3/c1-15(2)18(22-19(24)17-7-5-16(3)6-8-17)20(25)21-9-4-10-23-11-13-26-14-12-23/h15-18H,4-14H2,1-3H3,(H,21,25)(H,22,24)
InChIKeyDUKYVKPIHXPZSU-UHFFFAOYSA-N
XLogP1.79
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.53
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 4-methyl-N-[3-methyl-1-(3-morpholin-4-ylpropylamino)-1-oxobutan-2-yl]cyclohexane-1-carboxamide?
The IUPAC name of 4-methyl-N-[3-methyl-1-(3-morpholin-4-ylpropylamino)-1-oxobutan-2-yl]cyclohexane-1-carboxamide (CID 3243058) is 4-methyl-N-[3-methyl-1-(3-morpholin-4-ylpropylamino)-1-oxobutan-2-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-methyl-N-[3-methyl-1-(3-morpholin-4-ylpropylamino)-1-oxobutan-2-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-methyl-N-[3-methyl-1-(3-morpholin-4-ylpropylamino)-1-oxobutan-2-yl]cyclohexane-1-carboxamide is CC1CCC(C(=O)NC(C(=O)NCCCN2CCOCC2)C(C)C)CC1.
What is the InChIKey of 4-methyl-N-[3-methyl-1-(3-morpholin-4-ylpropylamino)-1-oxobutan-2-yl]cyclohexane-1-carboxamide?
The InChIKey is DUKYVKPIHXPZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N3O3/c1-15(2)18(22-19(24)17-7-5-16(3)6-8-17)20(25)21-9-4-10-23-11-13-26-14-12-23/h15-18H,4-14H2,1-3H3,(H,21,25)(H,22,24).
What are the key properties of 4-methyl-N-[3-methyl-1-(3-morpholin-4-ylpropylamino)-1-oxobutan-2-yl]cyclohexane-1-carboxamide?
4-methyl-N-[3-methyl-1-(3-morpholin-4-ylpropylamino)-1-oxobutan-2-yl]cyclohexane-1-carboxamide has a molecular weight of 367.53 g/mol, XLogP of 1.79, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-methyl-1-(3-morpholin-4-ylpropylamino)-1-oxobutan-2-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 3243058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).