1-(1,3-benzodioxol-5-yl)-N-ethyl-N-(3-methylphenyl)cyclopropane-1-carboxamide

C20H21NO3 — CID 113198989

IUPAC1-(1,3-benzodioxol-5-yl)-N-ethyl-N-(3-methylphenyl)cyclopropane-1-carboxamide
SMILESCCN(C(=O)C1(c2ccc3c(c2)OCO3)CC1)c1cccc(C)c1
InChIInChI=1S/C20H21NO3/c1-3-21(16-6-4-5-14(2)11-16)19(22)20(9-10-20)15-7-8-17-18(12-15)24-13-23-17/h4-8,11-12H,3,9-10,13H2,1-2H3
InChIKeyNLOJWALOJJAXJU-UHFFFAOYSA-N
MW323.39 g/mol
LogP3.81
Rot. Bonds4

About 1-(1,3-benzodioxol-5-yl)-N-ethyl-N-(3-methylphenyl)cyclopropane-1-carboxamide

1-(1,3-benzodioxol-5-yl)-N-ethyl-N-(3-methylphenyl)cyclopropane-1-carboxamide (PubChem CID 113198989) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-ethyl-N-(3-methylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-N-ethyl-N-(3-methylphenyl)cyclopropane-1-carboxamide
PubChem CID113198989
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name1-(1,3-benzodioxol-5-yl)-N-ethyl-N-(3-methylphenyl)cyclopropane-1-carboxamide
SMILESCCN(C(=O)C1(c2ccc3c(c2)OCO3)CC1)c1cccc(C)c1
InChIInChI=1S/C20H21NO3/c1-3-21(16-6-4-5-14(2)11-16)19(22)20(9-10-20)15-7-8-17-18(12-15)24-13-23-17/h4-8,11-12H,3,9-10,13H2,1-2H3
InChIKeyNLOJWALOJJAXJU-UHFFFAOYSA-N
XLogP3.81
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-methyl-5-(3-methylphenyl)phenyl]ethanone
CID 123751897
N-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 113002162
N,4-diethyl-N-(3-methylphenyl)piperidine-4-carboxamide
CID 63128862
N-ethyl-2-methyl-N-(3-methylphenyl)piperidine-2-carboxamide
CID 104596534
N-ethyl-N-(3-methylphenyl)carbamoyl chloride
CID 79001605
3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-ethyl-N-(3-methylphenyl)propanamide
CID 113133094
4-[3-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N,N-diethylbenzamide
CID 59206718
1-N'-ethyl-1-N-(2-methylphenyl)-1-N'-(3-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108980734
1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[3-(3-methylphenyl)-4-(trifluoromethoxy)phenyl]ethanone
CID 123992012
N-ethyl-N,1-diphenylcyclobutane-1-carboxamide
CID 69093061
N-ethyl-N,2-bis(3-methylphenyl)acetamide
CID 113099036
3-amino-N-(1,3-benzodioxol-5-yl)-N-ethylpropanamide
CID 28795490

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-ethyl-N-(3-methylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-ethyl-N-(3-methylphenyl)cyclopropane-1-carboxamide (CID 113198989) is 1-(1,3-benzodioxol-5-yl)-N-ethyl-N-(3-methylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-ethyl-N-(3-methylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-ethyl-N-(3-methylphenyl)cyclopropane-1-carboxamide is CCN(C(=O)C1(c2ccc3c(c2)OCO3)CC1)c1cccc(C)c1.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-ethyl-N-(3-methylphenyl)cyclopropane-1-carboxamide?
The InChIKey is NLOJWALOJJAXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-3-21(16-6-4-5-14(2)11-16)19(22)20(9-10-20)15-7-8-17-18(12-15)24-13-23-17/h4-8,11-12H,3,9-10,13H2,1-2H3.
What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-ethyl-N-(3-methylphenyl)cyclopropane-1-carboxamide?
1-(1,3-benzodioxol-5-yl)-N-ethyl-N-(3-methylphenyl)cyclopropane-1-carboxamide has a molecular weight of 323.39 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-N-ethyl-N-(3-methylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 113198989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).