N-(2,4-dimorpholin-4-ylphenyl)-2-methylcyclopropane-1-carboxamide

C19H27N3O3 — CID 112761839

IUPACN-(2,4-dimorpholin-4-ylphenyl)-2-methylcyclopropane-1-carboxamide
SMILESCC1CC1C(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1
InChIInChI=1S/C19H27N3O3/c1-14-12-16(14)19(23)20-17-3-2-15(21-4-8-24-9-5-21)13-18(17)22-6-10-25-11-7-22/h2-3,13-14,16H,4-12H2,1H3,(H,20,23)
InChIKeyYLQWXLMFPQAGCR-UHFFFAOYSA-N
MW345.44 g/mol
LogP1.95
Rot. Bonds4

About N-(2,4-dimorpholin-4-ylphenyl)-2-methylcyclopropane-1-carboxamide

N-(2,4-dimorpholin-4-ylphenyl)-2-methylcyclopropane-1-carboxamide (PubChem CID 112761839) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is N-(2,4-dimorpholin-4-ylphenyl)-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimorpholin-4-ylphenyl)-2-methylcyclopropane-1-carboxamide
PubChem CID112761839
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC NameN-(2,4-dimorpholin-4-ylphenyl)-2-methylcyclopropane-1-carboxamide
SMILESCC1CC1C(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1
InChIInChI=1S/C19H27N3O3/c1-14-12-16(14)19(23)20-17-3-2-15(21-4-8-24-9-5-21)13-18(17)22-6-10-25-11-7-22/h2-3,13-14,16H,4-12H2,1H3,(H,20,23)
InChIKeyYLQWXLMFPQAGCR-UHFFFAOYSA-N
XLogP1.95
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-bromo-2-morpholin-4-ylphenyl)-2-methylcyclopropane-1-carboxamide
CID 47109483
trans-(1R,2R)-2-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 26873317
(2S)-2-amino-N-(2,4-dimorpholin-4-ylphenyl)butanamide;trihydrochloride
CID 119900951
N-(2,4-dimorpholin-4-ylphenyl)-6-methylpyridine-3-carboxamide
CID 18149073
2-methyl-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)cyclopropane-1-carboxamide
CID 5207383
1-(2,4-dimorpholin-4-ylphenyl)-3-[(1R,2R)-2-methylcyclohexyl]thiourea
CID 8654348
4-amino-N-(2,4-dimorpholin-4-ylphenyl)butanamide
CID 119900958
N-(2,4-dimorpholin-4-ylphenyl)-3-methyl-1H-pyrrole-2-carboxamide
CID 167806321
trans-(1R,2R)-N-[2-(azepan-1-yl)phenyl]-2-methylcyclopropane-1-carboxamide
CID 51931889
1-tert-butyl-N-(2,4-dimorpholin-4-ylphenyl)pyrazole-4-carboxamide
CID 112839574
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2,4-dimorpholin-4-ylphenyl)acetamide
CID 112771327
1-N-(3,5-dimethylphenyl)-2-N-(2-morpholin-4-ylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141794

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimorpholin-4-ylphenyl)-2-methylcyclopropane-1-carboxamide?
The IUPAC name of N-(2,4-dimorpholin-4-ylphenyl)-2-methylcyclopropane-1-carboxamide (CID 112761839) is N-(2,4-dimorpholin-4-ylphenyl)-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(2,4-dimorpholin-4-ylphenyl)-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-(2,4-dimorpholin-4-ylphenyl)-2-methylcyclopropane-1-carboxamide is CC1CC1C(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1.
What is the InChIKey of N-(2,4-dimorpholin-4-ylphenyl)-2-methylcyclopropane-1-carboxamide?
The InChIKey is YLQWXLMFPQAGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-14-12-16(14)19(23)20-17-3-2-15(21-4-8-24-9-5-21)13-18(17)22-6-10-25-11-7-22/h2-3,13-14,16H,4-12H2,1H3,(H,20,23).
What are the key properties of N-(2,4-dimorpholin-4-ylphenyl)-2-methylcyclopropane-1-carboxamide?
N-(2,4-dimorpholin-4-ylphenyl)-2-methylcyclopropane-1-carboxamide has a molecular weight of 345.44 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimorpholin-4-ylphenyl)-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 112761839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).