N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-4-morpholin-4-yl-4-oxobutanamide

C16H28N2O3 — CID 28587516

IUPACN-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-4-morpholin-4-yl-4-oxobutanamide
SMILESC[C@@H]1[C@H](C)CCC[C@@H]1NC(=O)CCC(=O)N1CCOCC1
InChIInChI=1S/C16H28N2O3/c1-12-4-3-5-14(13(12)2)17-15(19)6-7-16(20)18-8-10-21-11-9-18/h12-14H,3-11H2,1-2H3,(H,17,19)/t12-,13-,14+/m1/s1
InChIKeyCZMTVKDHAVOWSA-MCIONIFRSA-N
MW296.41 g/mol
LogP1.57
Rot. Bonds4

About N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-4-morpholin-4-yl-4-oxobutanamide

N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-4-morpholin-4-yl-4-oxobutanamide (PubChem CID 28587516) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-4-morpholin-4-yl-4-oxobutanamide.

Molecular Properties

Compound NameN-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-4-morpholin-4-yl-4-oxobutanamide
PubChem CID28587516
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC NameN-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-4-morpholin-4-yl-4-oxobutanamide
SMILESC[C@@H]1[C@H](C)CCC[C@@H]1NC(=O)CCC(=O)N1CCOCC1
InChIInChI=1S/C16H28N2O3/c1-12-4-3-5-14(13(12)2)17-15(19)6-7-16(20)18-8-10-21-11-9-18/h12-14H,3-11H2,1-2H3,(H,17,19)/t12-,13-,14+/m1/s1
InChIKeyCZMTVKDHAVOWSA-MCIONIFRSA-N
XLogP1.57
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-4-morpholin-4-yl-4-oxobutanamide
CID 28587515
N-(2-methylcyclopentyl)morpholine-4-carboxamide
CID 115613523
N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 98518961
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-4-oxobutanamide
CID 51887332
5-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-5-oxopentanoic acid
CID 7317755
tert-butyl 4-[(2,3-dimethylcyclohexyl)amino]-4-oxobutanoate
CID 106706973
N-(2,3-dimethylcyclohexyl)tridecanamide
CID 57307251
methyl 2-[[4-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-4-oxobutanoyl]amino]acetate
CID 7299825
N-(2,3-dimethylcyclohexyl)decanamide;ethane
CID 143436811
N-(2,3-dimethylcyclohexyl)-4-oxo-4-phenylbutanamide
CID 51165973
N-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]carbamoyl]-2-pyrrolidin-1-ylacetamide
CID 11934946
N-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]carbamoyl]-2-pyrrolidin-1-ylacetamide
CID 11934942

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-4-morpholin-4-yl-4-oxobutanamide?
The IUPAC name of N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-4-morpholin-4-yl-4-oxobutanamide (CID 28587516) is N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-4-morpholin-4-yl-4-oxobutanamide.
What is the SMILES notation for N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-4-morpholin-4-yl-4-oxobutanamide?
The canonical SMILES for N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-4-morpholin-4-yl-4-oxobutanamide is C[C@@H]1[C@H](C)CCC[C@@H]1NC(=O)CCC(=O)N1CCOCC1.
What is the InChIKey of N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-4-morpholin-4-yl-4-oxobutanamide?
The InChIKey is CZMTVKDHAVOWSA-MCIONIFRSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-12-4-3-5-14(13(12)2)17-15(19)6-7-16(20)18-8-10-21-11-9-18/h12-14H,3-11H2,1-2H3,(H,17,19)/t12-,13-,14+/m1/s1.
What are the key properties of N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-4-morpholin-4-yl-4-oxobutanamide?
N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-4-morpholin-4-yl-4-oxobutanamide has a molecular weight of 296.41 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-4-morpholin-4-yl-4-oxobutanamide is sourced from PubChem (CID 28587516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).