methyl N-[4-[[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]phenyl]-N-methylcarbamate

C19H26N2O3 — CID 71886670

IUPACmethyl N-[4-[[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]phenyl]-N-methylcarbamate
SMILESCOC(=O)N(C)c1ccc(NC(=O)C2C(C=C(C)C)C2(C)C)cc1
InChIInChI=1S/C19H26N2O3/c1-12(2)11-15-16(19(15,3)4)17(22)20-13-7-9-14(10-8-13)21(5)18(23)24-6/h7-11,15-16H,1-6H3,(H,20,22)
InChIKeyDEGGYMYEVUKVGD-UHFFFAOYSA-N
MW330.43 g/mol
LogP4.07
Rot. Bonds4

About methyl N-[4-[[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]phenyl]-N-methylcarbamate

methyl N-[4-[[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]phenyl]-N-methylcarbamate (PubChem CID 71886670) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is methyl N-[4-[[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]phenyl]-N-methylcarbamate.

Molecular Properties

Compound Namemethyl N-[4-[[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]phenyl]-N-methylcarbamate
PubChem CID71886670
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Namemethyl N-[4-[[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]phenyl]-N-methylcarbamate
SMILESCOC(=O)N(C)c1ccc(NC(=O)C2C(C=C(C)C)C2(C)C)cc1
InChIInChI=1S/C19H26N2O3/c1-12(2)11-15-16(19(15,3)4)17(22)20-13-7-9-14(10-8-13)21(5)18(23)24-6/h7-11,15-16H,1-6H3,(H,20,22)
InChIKeyDEGGYMYEVUKVGD-UHFFFAOYSA-N
XLogP4.07
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 54.07
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

N-(4-fluorophenyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 47014952
2,2-dimethyl-3-(2-methylprop-1-enyl)-N-pyridin-4-ylcyclopropane-1-carboxamide
CID 47141132
trans-(1S,3R)-N-[4-(2-amino-2-oxoethyl)phenyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 31859421
N-[4-(2-amino-2-oxoethoxy)phenyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 4920320
N-tert-butyl-4-[[(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]benzamide
CID 38256775
N-(3-acetamidophenyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 18150617
cis-(1R,3S)-3-(2,2-dichloroethenyl)-N-(4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 678125
cis-(1S,3R)-3-(2,2-dichloroethenyl)-N-(4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 678124
trans-(1R,3S)-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 38781722
cis-(1S,3R)-N-(4-bromophenyl)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 1368388
2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(3-methylsulfanylphenyl)cyclopropane-1-carboxamide
CID 42924020
N-(9H-fluoren-2-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 17139231

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]phenyl]-N-methylcarbamate?
The IUPAC name of methyl N-[4-[[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]phenyl]-N-methylcarbamate (CID 71886670) is methyl N-[4-[[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]phenyl]-N-methylcarbamate.
What is the SMILES notation for methyl N-[4-[[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]phenyl]-N-methylcarbamate?
The canonical SMILES for methyl N-[4-[[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]phenyl]-N-methylcarbamate is COC(=O)N(C)c1ccc(NC(=O)C2C(C=C(C)C)C2(C)C)cc1.
What is the InChIKey of methyl N-[4-[[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]phenyl]-N-methylcarbamate?
The InChIKey is DEGGYMYEVUKVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-12(2)11-15-16(19(15,3)4)17(22)20-13-7-9-14(10-8-13)21(5)18(23)24-6/h7-11,15-16H,1-6H3,(H,20,22).
What are the key properties of methyl N-[4-[[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]phenyl]-N-methylcarbamate?
methyl N-[4-[[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]phenyl]-N-methylcarbamate has a molecular weight of 330.43 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]phenyl]-N-methylcarbamate is sourced from PubChem (CID 71886670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).