1-(4-aminophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-ethylcyclopropane-1-carboxamide

C16H23N3O2 — CID 115913375

IUPAC1-(4-aminophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-ethylcyclopropane-1-carboxamide
SMILESCCN(CC(=O)N(C)C)C(=O)C1(c2ccc(N)cc2)CC1
InChIInChI=1S/C16H23N3O2/c1-4-19(11-14(20)18(2)3)15(21)16(9-10-16)12-5-7-13(17)8-6-12/h5-8H,4,9-11,17H2,1-3H3
InChIKeyIRIGWGRJEFFPRB-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.24
Rot. Bonds5

About 1-(4-aminophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-ethylcyclopropane-1-carboxamide

1-(4-aminophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-ethylcyclopropane-1-carboxamide (PubChem CID 115913375) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-(4-aminophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-ethylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-aminophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-ethylcyclopropane-1-carboxamide
PubChem CID115913375
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-(4-aminophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-ethylcyclopropane-1-carboxamide
SMILESCCN(CC(=O)N(C)C)C(=O)C1(c2ccc(N)cc2)CC1
InChIInChI=1S/C16H23N3O2/c1-4-19(11-14(20)18(2)3)15(21)16(9-10-16)12-5-7-13(17)8-6-12/h5-8H,4,9-11,17H2,1-3H3
InChIKeyIRIGWGRJEFFPRB-UHFFFAOYSA-N
XLogP1.24
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-aminophenyl)-N-ethyl-N-prop-2-ynylcyclopropane-1-carboxamide
CID 112558429
1-(4-aminophenyl)-N,N-bis(2-hydroxyethyl)cyclopropane-1-carboxamide
CID 112558286
ethyl 2-[ethyl-[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]acetate
CID 61013046
2-[ethyl-(1-phenylcyclopropanecarbonyl)amino]acetic acid
CID 54900888
1-(4-aminophenyl)-N-(2-ethoxyethyl)-N-methylcyclopropane-1-carboxamide
CID 112558421
2-[[1-(4-aminophenyl)cyclopropanecarbonyl]-(2-methylpropyl)amino]acetic acid
CID 115913657
1-(4-aminophenyl)-N,N-bis(prop-2-enyl)cyclopropane-1-carboxamide
CID 112558169
1-(4-aminophenyl)-N-cyclohexyl-N-ethylcyclopropane-1-carboxamide
CID 115913190
1-(4-aminophenyl)-N,N-bis(2-cyanoethyl)cyclopropane-1-carboxamide
CID 115913473
2-[[1-(4-aminophenyl)cyclopropanecarbonyl]-methylamino]-2-methylpropanoic acid
CID 115913638
2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-1-methylcyclopentane-1-carboxamide
CID 82764402
1-(4-aminophenyl)-N-cyclohexyl-N-methylcyclopropane-1-carboxamide
CID 115913184

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-ethylcyclopropane-1-carboxamide?
The IUPAC name of 1-(4-aminophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-ethylcyclopropane-1-carboxamide (CID 115913375) is 1-(4-aminophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-ethylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-aminophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-ethylcyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-aminophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-ethylcyclopropane-1-carboxamide is CCN(CC(=O)N(C)C)C(=O)C1(c2ccc(N)cc2)CC1.
What is the InChIKey of 1-(4-aminophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-ethylcyclopropane-1-carboxamide?
The InChIKey is IRIGWGRJEFFPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-4-19(11-14(20)18(2)3)15(21)16(9-10-16)12-5-7-13(17)8-6-12/h5-8H,4,9-11,17H2,1-3H3.
What are the key properties of 1-(4-aminophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-ethylcyclopropane-1-carboxamide?
1-(4-aminophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-ethylcyclopropane-1-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 1.24, 5 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-(dimethylamino)-2-oxoethyl]-N-ethylcyclopropane-1-carboxamide is sourced from PubChem (CID 115913375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).