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

C18H25N3O4 — CID 110352817

IUPACN-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]morpholine-4-carboxamide
SMILESCC1(C)COCCN1C(=O)c1ccc(NC(=O)N2CCOCC2)cc1
InChIInChI=1S/C18H25N3O4/c1-18(2)13-25-12-9-21(18)16(22)14-3-5-15(6-4-14)19-17(23)20-7-10-24-11-8-20/h3-6H,7-13H2,1-2H3,(H,19,23)
InChIKeyKPDVTFGKCQFWGA-UHFFFAOYSA-N
MW347.42 g/mol
LogP1.80
Rot. Bonds2

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

N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]morpholine-4-carboxamide (PubChem CID 110352817) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]morpholine-4-carboxamide
PubChem CID110352817
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC NameN-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]morpholine-4-carboxamide
SMILESCC1(C)COCCN1C(=O)c1ccc(NC(=O)N2CCOCC2)cc1
InChIInChI=1S/C18H25N3O4/c1-18(2)13-25-12-9-21(18)16(22)14-3-5-15(6-4-14)19-17(23)20-7-10-24-11-8-20/h3-6H,7-13H2,1-2H3,(H,19,23)
InChIKeyKPDVTFGKCQFWGA-UHFFFAOYSA-N
XLogP1.80
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-3-phenylurea
CID 110352798
4-[(3,3-dimethylmorpholine-4-carbonyl)amino]benzoic acid
CID 61427841
N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]oxolane-2-carboxamide
CID 110352768
N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-3,4-dimethylbenzamide
CID 110352784
N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]adamantane-1-carboxamide
CID 110352818
N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-2,6-dimethoxybenzamide
CID 110352783
N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-2,3,4-trifluorobenzamide
CID 110352811
4-[4-(dimethylsulfamoylamino)benzoyl]-3,3-dimethylmorpholine
CID 110352824
N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-2-thiophen-2-ylacetamide
CID 110352787
N-[4-(methylcarbamoyl)phenyl]morpholine-4-carboxamide
CID 47033018
N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-2-(2-methoxyphenoxy)acetamide
CID 110352809
(3,3-dimethylmorpholin-4-yl)-(4-hydroxy-2-methylphenyl)methanone
CID 103865329

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]morpholine-4-carboxamide?
The IUPAC name of N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]morpholine-4-carboxamide (CID 110352817) is N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]morpholine-4-carboxamide?
The canonical SMILES for N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]morpholine-4-carboxamide is CC1(C)COCCN1C(=O)c1ccc(NC(=O)N2CCOCC2)cc1.
What is the InChIKey of N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]morpholine-4-carboxamide?
The InChIKey is KPDVTFGKCQFWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-18(2)13-25-12-9-21(18)16(22)14-3-5-15(6-4-14)19-17(23)20-7-10-24-11-8-20/h3-6H,7-13H2,1-2H3,(H,19,23).
What are the key properties of N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]morpholine-4-carboxamide?
N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]morpholine-4-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 1.80, 2 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]morpholine-4-carboxamide is sourced from PubChem (CID 110352817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).