cis-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[2-(morpholin-4-ylmethyl)phenyl]cyclopropane-1-carboxamide

C21H30N2O2 — CID 94629288

IUPACcis-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[2-(morpholin-4-ylmethyl)phenyl]cyclopropane-1-carboxamide
SMILESCC(C)=C[C@@H]1[C@@H](C(=O)Nc2ccccc2CN2CCOCC2)C1(C)C
InChIInChI=1S/C21H30N2O2/c1-15(2)13-17-19(21(17,3)4)20(24)22-18-8-6-5-7-16(18)14-23-9-11-25-12-10-23/h5-8,13,17,19H,9-12,14H2,1-4H3,(H,22,24)/t17-,19+/m1/s1
InChIKeyUFBOUXHVXVKIOS-MJGOQNOKSA-N
MW342.48 g/mol
LogP3.70
Rot. Bonds5

About cis-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[2-(morpholin-4-ylmethyl)phenyl]cyclopropane-1-carboxamide

cis-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[2-(morpholin-4-ylmethyl)phenyl]cyclopropane-1-carboxamide (PubChem CID 94629288) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is cis-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[2-(morpholin-4-ylmethyl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[2-(morpholin-4-ylmethyl)phenyl]cyclopropane-1-carboxamide
PubChem CID94629288
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC Namecis-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[2-(morpholin-4-ylmethyl)phenyl]cyclopropane-1-carboxamide
SMILESCC(C)=C[C@@H]1[C@@H](C(=O)Nc2ccccc2CN2CCOCC2)C1(C)C
InChIInChI=1S/C21H30N2O2/c1-15(2)13-17-19(21(17,3)4)20(24)22-18-8-6-5-7-16(18)14-23-9-11-25-12-10-23/h5-8,13,17,19H,9-12,14H2,1-4H3,(H,22,24)/t17-,19+/m1/s1
InChIKeyUFBOUXHVXVKIOS-MJGOQNOKSA-N
XLogP3.70
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

cis-(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[2-(morpholin-4-ylmethyl)phenyl]cyclopropane-1-carboxamide
CID 94629287
N-[2-(morpholin-4-ylmethyl)phenyl]cyclohex-3-ene-1-carboxamide
CID 131915701
(2S,4S)-2-methyl-N-[2-(morpholin-4-ylmethyl)phenyl]piperidine-4-carboxamide
CID 120644853
2-amino-N-[2-(morpholin-4-ylmethyl)phenyl]propanamide;dihydrochloride
CID 119859628
N-benzyl-2-[[(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]benzamide
CID 7330873
1-(4-hydroxy-2-methylphenyl)-3-[2-(morpholin-4-ylmethyl)phenyl]urea
CID 122150685
3-methyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]but-2-enamide
CID 31786572
3,5-dichloro-N-[2-(morpholin-4-ylmethyl)phenyl]benzamide
CID 55898935
8-methoxy-N-[2-(morpholin-4-ylmethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 131936486
cis-(1S,3S)-N-(6-chloro-1,3-benzodioxol-5-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 34540537
4-(2-methylphenoxy)-N-[2-(morpholin-4-ylmethyl)phenyl]butanamide
CID 55900210
cis-(1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethyl-N-naphthalen-1-ylcyclopropane-1-carboxamide
CID 679853

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[2-(morpholin-4-ylmethyl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[2-(morpholin-4-ylmethyl)phenyl]cyclopropane-1-carboxamide (CID 94629288) is cis-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[2-(morpholin-4-ylmethyl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[2-(morpholin-4-ylmethyl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[2-(morpholin-4-ylmethyl)phenyl]cyclopropane-1-carboxamide is CC(C)=C[C@@H]1[C@@H](C(=O)Nc2ccccc2CN2CCOCC2)C1(C)C.
What is the InChIKey of cis-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[2-(morpholin-4-ylmethyl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is UFBOUXHVXVKIOS-MJGOQNOKSA-N. The full InChI is InChI=1S/C21H30N2O2/c1-15(2)13-17-19(21(17,3)4)20(24)22-18-8-6-5-7-16(18)14-23-9-11-25-12-10-23/h5-8,13,17,19H,9-12,14H2,1-4H3,(H,22,24)/t17-,19+/m1/s1.
What are the key properties of cis-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[2-(morpholin-4-ylmethyl)phenyl]cyclopropane-1-carboxamide?
cis-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[2-(morpholin-4-ylmethyl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 342.48 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[2-(morpholin-4-ylmethyl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 94629288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).