N-(4-methoxy-2,2-dimethylbutyl)morpholine-3-carboxamide

C12H24N2O3 — CID 114125129

IUPACN-(4-methoxy-2,2-dimethylbutyl)morpholine-3-carboxamide
SMILESCOCCC(C)(C)CNC(=O)C1COCCN1
InChIInChI=1S/C12H24N2O3/c1-12(2,4-6-16-3)9-14-11(15)10-8-17-7-5-13-10/h10,13H,4-9H2,1-3H3,(H,14,15)
InChIKeyMMSUIBXNHRSAME-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.15
Rot. Bonds6

About N-(4-methoxy-2,2-dimethylbutyl)morpholine-3-carboxamide

N-(4-methoxy-2,2-dimethylbutyl)morpholine-3-carboxamide (PubChem CID 114125129) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is N-(4-methoxy-2,2-dimethylbutyl)morpholine-3-carboxamide.

Molecular Properties

Compound NameN-(4-methoxy-2,2-dimethylbutyl)morpholine-3-carboxamide
PubChem CID114125129
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC NameN-(4-methoxy-2,2-dimethylbutyl)morpholine-3-carboxamide
SMILESCOCCC(C)(C)CNC(=O)C1COCCN1
InChIInChI=1S/C12H24N2O3/c1-12(2,4-6-16-3)9-14-11(15)10-8-17-7-5-13-10/h10,13H,4-9H2,1-3H3,(H,14,15)
InChIKeyMMSUIBXNHRSAME-UHFFFAOYSA-N
XLogP0.15
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylpentan-2-yl)morpholine-3-carboxamide
CID 65517865
3-methyl-N-[(2S)-2-morpholin-4-ylbutyl]oxetane-3-carboxamide
CID 125444109
4-(4,4,4-Trifluoro-3,3-dimethylbutanoyl)morpholine-3-carboxamide
CID 137883147
4-(2,2-difluoroethyl)-N-(3,3-dimethyl-2-oxobutyl)morpholine-3-carboxamide
CID 137925739
(2S)-2-[[(2S)-2-amino-3-methoxypropanoyl]amino]-N,3,3-trimethylbutanamide
CID 18395591
2-amino-3,3-dimethyl-N-(2-morpholin-4-ylethyl)butanamide
CID 46899175
(2S)-2-amino-3,3-dimethyl-N-(2-morpholin-4-ylethyl)butanamide
CID 54037947
(2S)-2-amino-3,3-dimethyl-N-(3-morpholin-4-ylpropyl)butanamide
CID 54063364
N-ethylmorpholine-3-carboxamide
CID 54467594
Morpholine-3-carboxylic acid diethylamide
CID 57837734
3-(Tert-butoxymethyl)piperazin-2-one
CID 58058021
(R)-3-(tert-Butoxymethyl)piperazin-2-one
CID 58058025

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2,2-dimethylbutyl)morpholine-3-carboxamide?
The IUPAC name of N-(4-methoxy-2,2-dimethylbutyl)morpholine-3-carboxamide (CID 114125129) is N-(4-methoxy-2,2-dimethylbutyl)morpholine-3-carboxamide.
What is the SMILES notation for N-(4-methoxy-2,2-dimethylbutyl)morpholine-3-carboxamide?
The canonical SMILES for N-(4-methoxy-2,2-dimethylbutyl)morpholine-3-carboxamide is COCCC(C)(C)CNC(=O)C1COCCN1.
What is the InChIKey of N-(4-methoxy-2,2-dimethylbutyl)morpholine-3-carboxamide?
The InChIKey is MMSUIBXNHRSAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-12(2,4-6-16-3)9-14-11(15)10-8-17-7-5-13-10/h10,13H,4-9H2,1-3H3,(H,14,15).
What are the key properties of N-(4-methoxy-2,2-dimethylbutyl)morpholine-3-carboxamide?
N-(4-methoxy-2,2-dimethylbutyl)morpholine-3-carboxamide has a molecular weight of 244.33 g/mol, XLogP of 0.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2,2-dimethylbutyl)morpholine-3-carboxamide is sourced from PubChem (CID 114125129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).