3,3-dimethyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]butanamide

C17H32N2O2 — CID 78789271

IUPAC3,3-dimethyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]butanamide
SMILESCC(C)(C)CC(=O)NCC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C17H32N2O2/c1-16(2,3)13-15(20)18-14-17(7-5-4-6-8-17)19-9-11-21-12-10-19/h4-14H2,1-3H3,(H,18,20)
InChIKeyGXOHIQQSPQGLFI-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.57
Rot. Bonds4

About 3,3-dimethyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]butanamide

3,3-dimethyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]butanamide (PubChem CID 78789271) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is 3,3-dimethyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]butanamide
PubChem CID78789271
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Name3,3-dimethyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]butanamide
SMILESCC(C)(C)CC(=O)NCC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C17H32N2O2/c1-16(2,3)13-15(20)18-14-17(7-5-4-6-8-17)19-9-11-21-12-10-19/h4-14H2,1-3H3,(H,18,20)
InChIKeyGXOHIQQSPQGLFI-UHFFFAOYSA-N
XLogP2.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-morpholin-4-ylcyclohexyl)methyl]octanamide
CID 134015029
N-tert-butyl-2-[[N'-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]carbamimidoyl]amino]acetamide
CID 111003765
N-[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl]cyclohexanecarboxamide
CID 17459032
2-[(1S,2R)-2-hydroxycyclohexyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 122139787
2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(1-morpholin-4-ylcycloheptyl)methyl]acetamide
CID 131914905
2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 51223648
(2R)-2-acetamido-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide
CID 51715596
(2R)-2-amino-4-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pentanamide
CID 56875780
2-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pentanamide
CID 78789816
N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-phenylpropanamide
CID 18150652
1-O-tert-butyl 4-O-[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] piperidine-1,4-dicarboxylate
CID 55476275
1-ethyl-3-[(1-morpholin-4-ylcyclohexyl)methyl]thiourea
CID 8788201

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]butanamide?
The IUPAC name of 3,3-dimethyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]butanamide (CID 78789271) is 3,3-dimethyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]butanamide.
What is the SMILES notation for 3,3-dimethyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]butanamide?
The canonical SMILES for 3,3-dimethyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]butanamide is CC(C)(C)CC(=O)NCC1(N2CCOCC2)CCCCC1.
What is the InChIKey of 3,3-dimethyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]butanamide?
The InChIKey is GXOHIQQSPQGLFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-16(2,3)13-15(20)18-14-17(7-5-4-6-8-17)19-9-11-21-12-10-19/h4-14H2,1-3H3,(H,18,20).
What are the key properties of 3,3-dimethyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]butanamide?
3,3-dimethyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]butanamide has a molecular weight of 296.45 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]butanamide is sourced from PubChem (CID 78789271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).