N-methyl-N-[(3S)-2-methyl-4-oxopentan-3-yl]morpholine-4-carboxamide

C12H22N2O3 — CID 178173065

IUPACN-methyl-N-[(3S)-2-methyl-4-oxopentan-3-yl]morpholine-4-carboxamide
SMILESCC(=O)[C@H](C(C)C)N(C)C(=O)N1CCOCC1
InChIInChI=1S/C12H22N2O3/c1-9(2)11(10(3)15)13(4)12(16)14-5-7-17-8-6-14/h9,11H,5-8H2,1-4H3/t11-/m0/s1
InChIKeyYZQDZECOZCKARM-NSHDSACASA-N
MW242.32 g/mol
LogP0.98
Rot. Bonds3

About N-methyl-N-[(3S)-2-methyl-4-oxopentan-3-yl]morpholine-4-carboxamide

N-methyl-N-[(3S)-2-methyl-4-oxopentan-3-yl]morpholine-4-carboxamide (PubChem CID 178173065) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is N-methyl-N-[(3S)-2-methyl-4-oxopentan-3-yl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(3S)-2-methyl-4-oxopentan-3-yl]morpholine-4-carboxamide
PubChem CID178173065
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC NameN-methyl-N-[(3S)-2-methyl-4-oxopentan-3-yl]morpholine-4-carboxamide
SMILESCC(=O)[C@H](C(C)C)N(C)C(=O)N1CCOCC1
InChIInChI=1S/C12H22N2O3/c1-9(2)11(10(3)15)13(4)12(16)14-5-7-17-8-6-14/h9,11H,5-8H2,1-4H3/t11-/m0/s1
InChIKeyYZQDZECOZCKARM-NSHDSACASA-N
XLogP0.98
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(1-methylsulfanylpropan-2-yl)morpholine-4-carboxamide
CID 115640207
N-ethynyl-N-methylmorpholine-4-carboxamide
CID 70106574
N-methyl-N-(1-thiophen-2-ylethyl)morpholine-4-carboxamide
CID 115575769
N-[1-(4-chlorophenyl)ethyl]-N-methylmorpholine-4-carboxamide
CID 115579428
1-(1,4,7,10,13,16,19-heptaoxa-22-azacyclotetracos-22-yl)ethanone
CID 20707611
1-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)ethanone
CID 10335257
1-(1,4,7-trioxa-10-azacyclododec-10-yl)ethanone
CID 949153
(2S)-2-hydroxy-3-methyl-1-morpholin-4-ylbutan-1-one
CID 69460030
N-(2-aminoethyl)-N-propan-2-ylmorpholine-4-carboxamide
CID 79155314
N-(5-aminopentyl)-N-methylmorpholine-4-carboxamide
CID 107206795
2-amino-3-methyl-1-morpholin-4-ylbutan-1-one
CID 22492154
N-[1-(3-chlorophenyl)ethyl]-N-methylmorpholine-4-carboxamide
CID 115589168

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3S)-2-methyl-4-oxopentan-3-yl]morpholine-4-carboxamide?
The IUPAC name of N-methyl-N-[(3S)-2-methyl-4-oxopentan-3-yl]morpholine-4-carboxamide (CID 178173065) is N-methyl-N-[(3S)-2-methyl-4-oxopentan-3-yl]morpholine-4-carboxamide.
What is the SMILES notation for N-methyl-N-[(3S)-2-methyl-4-oxopentan-3-yl]morpholine-4-carboxamide?
The canonical SMILES for N-methyl-N-[(3S)-2-methyl-4-oxopentan-3-yl]morpholine-4-carboxamide is CC(=O)[C@H](C(C)C)N(C)C(=O)N1CCOCC1.
What is the InChIKey of N-methyl-N-[(3S)-2-methyl-4-oxopentan-3-yl]morpholine-4-carboxamide?
The InChIKey is YZQDZECOZCKARM-NSHDSACASA-N. The full InChI is InChI=1S/C12H22N2O3/c1-9(2)11(10(3)15)13(4)12(16)14-5-7-17-8-6-14/h9,11H,5-8H2,1-4H3/t11-/m0/s1.
What are the key properties of N-methyl-N-[(3S)-2-methyl-4-oxopentan-3-yl]morpholine-4-carboxamide?
N-methyl-N-[(3S)-2-methyl-4-oxopentan-3-yl]morpholine-4-carboxamide has a molecular weight of 242.32 g/mol, XLogP of 0.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3S)-2-methyl-4-oxopentan-3-yl]morpholine-4-carboxamide is sourced from PubChem (CID 178173065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).