N-(1-methylazetidin-3-yl)-1-(4-methylphenyl)cyclopropane-1-carboxamide;molecular hydrogen;propane

C18H30N2O — CID 169135562

IUPACN-(1-methylazetidin-3-yl)-1-(4-methylphenyl)cyclopropane-1-carboxamide;molecular hydrogen;propane
SMILESCCC.Cc1ccc(C2(C(=O)NC3CN(C)C3)CC2)cc1.[H][H]
InChIInChI=1S/C15H20N2O.C3H8.H2/c1-11-3-5-12(6-4-11)15(7-8-15)14(18)16-13-9-17(2)10-13;1-3-2;/h3-6,13H,7-10H2,1-2H3,(H,16,18);3H2,1-2H3;1H
InChIKeyOCMJENBRADTIQM-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.12
Rot. Bonds3

About N-(1-methylazetidin-3-yl)-1-(4-methylphenyl)cyclopropane-1-carboxamide;molecular hydrogen;propane

N-(1-methylazetidin-3-yl)-1-(4-methylphenyl)cyclopropane-1-carboxamide;molecular hydrogen;propane (PubChem CID 169135562) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-(1-methylazetidin-3-yl)-1-(4-methylphenyl)cyclopropane-1-carboxamide;molecular hydrogen;propane.

Molecular Properties

Compound NameN-(1-methylazetidin-3-yl)-1-(4-methylphenyl)cyclopropane-1-carboxamide;molecular hydrogen;propane
PubChem CID169135562
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-(1-methylazetidin-3-yl)-1-(4-methylphenyl)cyclopropane-1-carboxamide;molecular hydrogen;propane
SMILESCCC.Cc1ccc(C2(C(=O)NC3CN(C)C3)CC2)cc1.[H][H]
InChIInChI=1S/C15H20N2O.C3H8.H2/c1-11-3-5-12(6-4-11)15(7-8-15)14(18)16-13-9-17(2)10-13;1-3-2;/h3-6,13H,7-10H2,1-2H3,(H,16,18);3H2,1-2H3;1H
InChIKeyOCMJENBRADTIQM-UHFFFAOYSA-N
XLogP3.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-ethoxy-1-methylpyrrolidin-3-yl)-1-(4-methylphenyl)cyclopropane-1-carboxamide
CID 156609764
N-[(3R)-1-methylpiperidin-3-yl]-1-phenylcyclobutane-1-carboxamide
CID 95580679
N-cyclopropyl-1-[4-(propanoylamino)phenyl]cyclopropane-1-carboxamide
CID 50821667
cis-(1R,3S)-3-[[4-(4-methylphenyl)oxane-4-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120677486
ethyl 1-(4-methylphenyl)cyclopropane-1-carboxylate
CID 105456293
1-(4-chlorophenyl)-N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]cyclopropane-1-carboxamide
CID 28849709
1-(4-fluorophenyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclopropane-1-carboxamide
CID 71926291
N-cyclopentyl-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 110485718
acetic acid;N-[(3S,4R)-4-hydroxypiperidin-3-yl]-1-(4-methylphenyl)cyclopropane-1-carboxamide
CID 154908138
(3R,5S)-4-[[1-(4-methylphenyl)cyclopropanecarbonyl]amino]adamantane-1-carboxylic acid
CID 11537663
1-(4-bromophenyl)-N-[1-(cyclopentylmethyl)piperidin-4-yl]cyclopropane-1-carboxamide
CID 47083546
1-methyl-4-(4-methylphenyl)piperidine-4-carboxamide
CID 142179797

Frequently Asked Questions

What is the IUPAC name of N-(1-methylazetidin-3-yl)-1-(4-methylphenyl)cyclopropane-1-carboxamide;molecular hydrogen;propane?
The IUPAC name of N-(1-methylazetidin-3-yl)-1-(4-methylphenyl)cyclopropane-1-carboxamide;molecular hydrogen;propane (CID 169135562) is N-(1-methylazetidin-3-yl)-1-(4-methylphenyl)cyclopropane-1-carboxamide;molecular hydrogen;propane.
What is the SMILES notation for N-(1-methylazetidin-3-yl)-1-(4-methylphenyl)cyclopropane-1-carboxamide;molecular hydrogen;propane?
The canonical SMILES for N-(1-methylazetidin-3-yl)-1-(4-methylphenyl)cyclopropane-1-carboxamide;molecular hydrogen;propane is CCC.Cc1ccc(C2(C(=O)NC3CN(C)C3)CC2)cc1.[H][H].
What is the InChIKey of N-(1-methylazetidin-3-yl)-1-(4-methylphenyl)cyclopropane-1-carboxamide;molecular hydrogen;propane?
The InChIKey is OCMJENBRADTIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O.C3H8.H2/c1-11-3-5-12(6-4-11)15(7-8-15)14(18)16-13-9-17(2)10-13;1-3-2;/h3-6,13H,7-10H2,1-2H3,(H,16,18);3H2,1-2H3;1H.
What are the key properties of N-(1-methylazetidin-3-yl)-1-(4-methylphenyl)cyclopropane-1-carboxamide;molecular hydrogen;propane?
N-(1-methylazetidin-3-yl)-1-(4-methylphenyl)cyclopropane-1-carboxamide;molecular hydrogen;propane has a molecular weight of 290.45 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylazetidin-3-yl)-1-(4-methylphenyl)cyclopropane-1-carboxamide;molecular hydrogen;propane is sourced from PubChem (CID 169135562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).