N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]oxolane-2-carboxamide

C18H24N2O4 — CID 110352768

IUPACN-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]oxolane-2-carboxamide
SMILESCC1(C)COCCN1C(=O)c1ccc(NC(=O)C2CCCO2)cc1
InChIInChI=1S/C18H24N2O4/c1-18(2)12-23-11-9-20(18)17(22)13-5-7-14(8-6-13)19-16(21)15-4-3-10-24-15/h5-8,15H,3-4,9-12H2,1-2H3,(H,19,21)
InChIKeyCUGNKVUGVZDBOY-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.06
Rot. Bonds3

About N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]oxolane-2-carboxamide

N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]oxolane-2-carboxamide (PubChem CID 110352768) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]oxolane-2-carboxamide
PubChem CID110352768
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC NameN-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]oxolane-2-carboxamide
SMILESCC1(C)COCCN1C(=O)c1ccc(NC(=O)C2CCCO2)cc1
InChIInChI=1S/C18H24N2O4/c1-18(2)12-23-11-9-20(18)17(22)13-5-7-14(8-6-13)19-16(21)15-4-3-10-24-15/h5-8,15H,3-4,9-12H2,1-2H3,(H,19,21)
InChIKeyCUGNKVUGVZDBOY-UHFFFAOYSA-N
XLogP2.06
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]morpholine-4-carboxamide
CID 110352817
1-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-3-phenylurea
CID 110352798
N-[4-[(3-ethyloxetane-3-carbonyl)amino]phenyl]oxolane-2-carboxamide
CID 71856922
N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]adamantane-1-carboxamide
CID 110352818
(3,3-dimethylmorpholin-4-yl)-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone
CID 94814885
(2R)-N-(4-morpholin-4-ylphenyl)oxolane-2-carboxamide
CID 2476290
N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-2,3,4-trifluorobenzamide
CID 110352811
methyl 4-[[(2R)-oxolane-2-carbonyl]amino]benzoate
CID 1086797
4-[4-(dimethylsulfamoylamino)benzoyl]-3,3-dimethylmorpholine
CID 110352824
N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-2-thiophen-2-ylacetamide
CID 110352787
(2S)-N-(4-tert-butylphenyl)oxolane-2-carboxamide
CID 8779725
(2R)-N-(4-morpholin-4-ylsulfonylphenyl)oxolane-2-carboxamide
CID 975970

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]oxolane-2-carboxamide (CID 110352768) is N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]oxolane-2-carboxamide is CC1(C)COCCN1C(=O)c1ccc(NC(=O)C2CCCO2)cc1.
What is the InChIKey of N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]oxolane-2-carboxamide?
The InChIKey is CUGNKVUGVZDBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-18(2)12-23-11-9-20(18)17(22)13-5-7-14(8-6-13)19-16(21)15-4-3-10-24-15/h5-8,15H,3-4,9-12H2,1-2H3,(H,19,21).
What are the key properties of N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]oxolane-2-carboxamide?
N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]oxolane-2-carboxamide has a molecular weight of 332.40 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 110352768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).