3-[[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]-N-ethylbenzamide

C19H26N2O2 — CID 18151220

IUPAC3-[[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(NC(=O)C2C(C=C(C)C)C2(C)C)c1
InChIInChI=1S/C19H26N2O2/c1-6-20-17(22)13-8-7-9-14(11-13)21-18(23)16-15(10-12(2)3)19(16,4)5/h7-11,15-16H,6H2,1-5H3,(H,20,22)(H,21,23)
InChIKeyDZFLPZYPDQGPBR-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.61
Rot. Bonds5

About 3-[[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]-N-ethylbenzamide

3-[[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]-N-ethylbenzamide (PubChem CID 18151220) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 3-[[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]-N-ethylbenzamide.

Molecular Properties

Compound Name3-[[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]-N-ethylbenzamide
PubChem CID18151220
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name3-[[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(NC(=O)C2C(C=C(C)C)C2(C)C)c1
InChIInChI=1S/C19H26N2O2/c1-6-20-17(22)13-8-7-9-14(11-13)21-18(23)16-15(10-12(2)3)19(16,4)5/h7-11,15-16H,6H2,1-5H3,(H,20,22)(H,21,23)
InChIKeyDZFLPZYPDQGPBR-UHFFFAOYSA-N
XLogP3.61
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-acetamidophenyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 18150617
2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(3-methylsulfanylphenyl)cyclopropane-1-carboxamide
CID 42924020
3-acetamido-N-ethylbenzamide
CID 17230670
2,2-dimethyl-3-(2-methylprop-1-enyl)-N-pyridin-4-ylcyclopropane-1-carboxamide
CID 47141132
2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]cyclopropane-1-carboxamide
CID 47023379
cis-(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]cyclopropane-1-carboxamide
CID 39026508
N-tert-butyl-4-[[(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]benzamide
CID 38256775
N-(9H-fluoren-2-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 17139231
2-[[3-(ethylcarbamoyl)phenyl]carbamoyl]benzoic acid
CID 17230631
cis-(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]cyclopropane-1-carboxamide
CID 94825100
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 42934236
3-(cyclopropanecarbonylcarbamothioylamino)-N-ethylbenzamide
CID 17230908

Frequently Asked Questions

What is the IUPAC name of 3-[[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]-N-ethylbenzamide?
The IUPAC name of 3-[[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]-N-ethylbenzamide (CID 18151220) is 3-[[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]-N-ethylbenzamide.
What is the SMILES notation for 3-[[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]-N-ethylbenzamide?
The canonical SMILES for 3-[[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]-N-ethylbenzamide is CCNC(=O)c1cccc(NC(=O)C2C(C=C(C)C)C2(C)C)c1.
What is the InChIKey of 3-[[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]-N-ethylbenzamide?
The InChIKey is DZFLPZYPDQGPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-6-20-17(22)13-8-7-9-14(11-13)21-18(23)16-15(10-12(2)3)19(16,4)5/h7-11,15-16H,6H2,1-5H3,(H,20,22)(H,21,23).
What are the key properties of 3-[[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]-N-ethylbenzamide?
3-[[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]-N-ethylbenzamide has a molecular weight of 314.43 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]-N-ethylbenzamide is sourced from PubChem (CID 18151220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).