1-(4-aminophenyl)-N-(2-ethoxyethyl)-N-methylcyclopropane-1-carboxamide

C15H22N2O2 — CID 112558421

IUPAC1-(4-aminophenyl)-N-(2-ethoxyethyl)-N-methylcyclopropane-1-carboxamide
SMILESCCOCCN(C)C(=O)C1(c2ccc(N)cc2)CC1
InChIInChI=1S/C15H22N2O2/c1-3-19-11-10-17(2)14(18)15(8-9-15)12-4-6-13(16)7-5-12/h4-7H,3,8-11,16H2,1-2H3
InChIKeyZBHYJBBGUAGRTJ-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.80
Rot. Bonds6

About 1-(4-aminophenyl)-N-(2-ethoxyethyl)-N-methylcyclopropane-1-carboxamide

1-(4-aminophenyl)-N-(2-ethoxyethyl)-N-methylcyclopropane-1-carboxamide (PubChem CID 112558421) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-(4-aminophenyl)-N-(2-ethoxyethyl)-N-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-aminophenyl)-N-(2-ethoxyethyl)-N-methylcyclopropane-1-carboxamide
PubChem CID112558421
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-(4-aminophenyl)-N-(2-ethoxyethyl)-N-methylcyclopropane-1-carboxamide
SMILESCCOCCN(C)C(=O)C1(c2ccc(N)cc2)CC1
InChIInChI=1S/C15H22N2O2/c1-3-19-11-10-17(2)14(18)15(8-9-15)12-4-6-13(16)7-5-12/h4-7H,3,8-11,16H2,1-2H3
InChIKeyZBHYJBBGUAGRTJ-UHFFFAOYSA-N
XLogP1.80
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-aminophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-ethylcyclopropane-1-carboxamide
CID 115913375
ethyl 2-[[1-(4-tert-butylphenyl)cyclopropanecarbonyl]-methylamino]acetate
CID 56520620
1-(4-aminophenyl)-N,N-bis(2-hydroxyethyl)cyclopropane-1-carboxamide
CID 112558286
1-(4-aminophenyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylcyclopropane-1-carboxamide
CID 115913456
N-(2-aminoethyl)-N-methyl-1-phenylcyclopropane-1-carboxamide
CID 62878656
1-(4-aminophenyl)-N-cyclohexyl-N-ethylcyclopropane-1-carboxamide
CID 115913190
1-(4-aminophenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)cyclopropane-1-carboxamide
CID 115913584
2-[[1-(4-aminophenyl)cyclopropanecarbonyl]-methylamino]-2-methylpropanoic acid
CID 115913638
1-(4-aminophenyl)-N-ethyl-N-prop-2-ynylcyclopropane-1-carboxamide
CID 112558429
1-cyano-N-(2-ethoxyethyl)-N-methylcyclopropane-1-carboxamide
CID 81056147
2-(4-aminophenyl)-N-[2-(2-hydroxyethoxy)ethyl]-N-methylacetamide
CID 114242938
1-(4-aminophenyl)-N,N-bis(2-cyanoethyl)cyclopropane-1-carboxamide
CID 115913473

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-N-(2-ethoxyethyl)-N-methylcyclopropane-1-carboxamide?
The IUPAC name of 1-(4-aminophenyl)-N-(2-ethoxyethyl)-N-methylcyclopropane-1-carboxamide (CID 112558421) is 1-(4-aminophenyl)-N-(2-ethoxyethyl)-N-methylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-aminophenyl)-N-(2-ethoxyethyl)-N-methylcyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-aminophenyl)-N-(2-ethoxyethyl)-N-methylcyclopropane-1-carboxamide is CCOCCN(C)C(=O)C1(c2ccc(N)cc2)CC1.
What is the InChIKey of 1-(4-aminophenyl)-N-(2-ethoxyethyl)-N-methylcyclopropane-1-carboxamide?
The InChIKey is ZBHYJBBGUAGRTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-19-11-10-17(2)14(18)15(8-9-15)12-4-6-13(16)7-5-12/h4-7H,3,8-11,16H2,1-2H3.
What are the key properties of 1-(4-aminophenyl)-N-(2-ethoxyethyl)-N-methylcyclopropane-1-carboxamide?
1-(4-aminophenyl)-N-(2-ethoxyethyl)-N-methylcyclopropane-1-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-N-(2-ethoxyethyl)-N-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 112558421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).