N-(4-ethoxy-1-methylpyrrolidin-3-yl)-1-(4-methylphenyl)cyclopropane-1-carboxamide

C18H26N2O2 — CID 156609764

IUPACN-(4-ethoxy-1-methylpyrrolidin-3-yl)-1-(4-methylphenyl)cyclopropane-1-carboxamide
SMILESCCOC1CN(C)CC1NC(=O)C1(c2ccc(C)cc2)CC1
InChIInChI=1S/C18H26N2O2/c1-4-22-16-12-20(3)11-15(16)19-17(21)18(9-10-18)14-7-5-13(2)6-8-14/h5-8,15-16H,4,9-12H2,1-3H3,(H,19,21)
InChIKeyBMZWCVMQUJODSD-UHFFFAOYSA-N
MW302.42 g/mol
LogP1.86
Rot. Bonds5

About N-(4-ethoxy-1-methylpyrrolidin-3-yl)-1-(4-methylphenyl)cyclopropane-1-carboxamide

N-(4-ethoxy-1-methylpyrrolidin-3-yl)-1-(4-methylphenyl)cyclopropane-1-carboxamide (PubChem CID 156609764) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-(4-ethoxy-1-methylpyrrolidin-3-yl)-1-(4-methylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxy-1-methylpyrrolidin-3-yl)-1-(4-methylphenyl)cyclopropane-1-carboxamide
PubChem CID156609764
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC NameN-(4-ethoxy-1-methylpyrrolidin-3-yl)-1-(4-methylphenyl)cyclopropane-1-carboxamide
SMILESCCOC1CN(C)CC1NC(=O)C1(c2ccc(C)cc2)CC1
InChIInChI=1S/C18H26N2O2/c1-4-22-16-12-20(3)11-15(16)19-17(21)18(9-10-18)14-7-5-13(2)6-8-14/h5-8,15-16H,4,9-12H2,1-3H3,(H,19,21)
InChIKeyBMZWCVMQUJODSD-UHFFFAOYSA-N
XLogP1.86
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-methylazetidin-3-yl)-1-(4-methylphenyl)cyclopropane-1-carboxamide;molecular hydrogen;propane
CID 169135562
2,6-dichloro-N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]benzamide
CID 91783951
3,5-dichloro-N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]-4-methylbenzamide
CID 72926011
N-[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]-2-(2-methoxyphenyl)acetamide
CID 133268518
5-(2-chlorophenyl)-N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]furan-2-carboxamide
CID 70786517
ethyl 1-(4-methylphenyl)cyclopropane-1-carboxylate
CID 105456293
1-(4-chlorophenyl)-N-[(3S,4R)-3-ethoxyoxan-4-yl]cyclobutane-1-carboxamide
CID 91776750
N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 91836549
acetic acid;N-[(3S,4R)-4-hydroxypiperidin-3-yl]-1-(4-methylphenyl)cyclopropane-1-carboxamide
CID 154908138
3-(1,3-dihydroisoindol-2-yl)-N-[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]benzamide
CID 133265917
ethyl 4,4-dimethyl-1-(4-methylphenyl)cyclohexane-1-carboxylate
CID 15029983
ethyl 1-(4-methylphenyl)cyclopentane-1-carboxylate
CID 15029975

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-1-methylpyrrolidin-3-yl)-1-(4-methylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(4-ethoxy-1-methylpyrrolidin-3-yl)-1-(4-methylphenyl)cyclopropane-1-carboxamide (CID 156609764) is N-(4-ethoxy-1-methylpyrrolidin-3-yl)-1-(4-methylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(4-ethoxy-1-methylpyrrolidin-3-yl)-1-(4-methylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(4-ethoxy-1-methylpyrrolidin-3-yl)-1-(4-methylphenyl)cyclopropane-1-carboxamide is CCOC1CN(C)CC1NC(=O)C1(c2ccc(C)cc2)CC1.
What is the InChIKey of N-(4-ethoxy-1-methylpyrrolidin-3-yl)-1-(4-methylphenyl)cyclopropane-1-carboxamide?
The InChIKey is BMZWCVMQUJODSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-4-22-16-12-20(3)11-15(16)19-17(21)18(9-10-18)14-7-5-13(2)6-8-14/h5-8,15-16H,4,9-12H2,1-3H3,(H,19,21).
What are the key properties of N-(4-ethoxy-1-methylpyrrolidin-3-yl)-1-(4-methylphenyl)cyclopropane-1-carboxamide?
N-(4-ethoxy-1-methylpyrrolidin-3-yl)-1-(4-methylphenyl)cyclopropane-1-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-1-methylpyrrolidin-3-yl)-1-(4-methylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 156609764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).