2-(2-chlorophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]cyclopropane-1-carboxamide

C20H29ClN2O2 — CID 78837230

IUPAC2-(2-chlorophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]cyclopropane-1-carboxamide
SMILESCC1CN(C(C)(C)CNC(=O)C2CC2c2ccccc2Cl)CC(C)O1
InChIInChI=1S/C20H29ClN2O2/c1-13-10-23(11-14(2)25-13)20(3,4)12-22-19(24)17-9-16(17)15-7-5-6-8-18(15)21/h5-8,13-14,16-17H,9-12H2,1-4H3,(H,22,24)
InChIKeyXYVRHCXLGKSQSG-UHFFFAOYSA-N
MW364.92 g/mol
LogP3.45
Rot. Bonds5

About 2-(2-chlorophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]cyclopropane-1-carboxamide

2-(2-chlorophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]cyclopropane-1-carboxamide (PubChem CID 78837230) has the molecular formula C20H29ClN2O2 and a molecular weight of 364.92 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]cyclopropane-1-carboxamide
PubChem CID78837230
Molecular FormulaC20H29ClN2O2
Molecular Weight364.92 g/mol
Exact Mass364.19
IUPAC Name2-(2-chlorophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]cyclopropane-1-carboxamide
SMILESCC1CN(C(C)(C)CNC(=O)C2CC2c2ccccc2Cl)CC(C)O1
InChIInChI=1S/C20H29ClN2O2/c1-13-10-23(11-14(2)25-13)20(3,4)12-22-19(24)17-9-16(17)15-7-5-6-8-18(15)21/h5-8,13-14,16-17H,9-12H2,1-4H3,(H,22,24)
InChIKeyXYVRHCXLGKSQSG-UHFFFAOYSA-N
XLogP3.45
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.92
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(1S,2S)-2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-2,2-dimethylpropanoic acid
CID 97324672
2-(2-chlorophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]cyclopropane-1-carboxamide
CID 55657995
N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 134026774
N-benzyl-2-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 51291733
N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]furan-2-carboxamide
CID 29297646
cis-(1S,2R)-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-(2,3-dichlorophenyl)cyclopropane-1-carboxamide
CID 95621010
(2S)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 51648241
2-amino-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-phenylpropanamide
CID 120595010
trans-(1R,2R)-N-(4-amino-4-oxobutyl)-2-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 95594248
N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-2-phenoxyacetamide
CID 29298053
2-(2-chlorophenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 51292245
cis-(1R,2S)-2-(2-chlorophenyl)-N-(2,3-dihydro-1,4-dioxin-5-ylmethyl)cyclopropane-1-carboxamide
CID 95781314

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]cyclopropane-1-carboxamide (CID 78837230) is 2-(2-chlorophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]cyclopropane-1-carboxamide is CC1CN(C(C)(C)CNC(=O)C2CC2c2ccccc2Cl)CC(C)O1.
What is the InChIKey of 2-(2-chlorophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]cyclopropane-1-carboxamide?
The InChIKey is XYVRHCXLGKSQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29ClN2O2/c1-13-10-23(11-14(2)25-13)20(3,4)12-22-19(24)17-9-16(17)15-7-5-6-8-18(15)21/h5-8,13-14,16-17H,9-12H2,1-4H3,(H,22,24).
What are the key properties of 2-(2-chlorophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]cyclopropane-1-carboxamide?
2-(2-chlorophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]cyclopropane-1-carboxamide has a molecular weight of 364.92 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 78837230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).