1-(4-aminophenyl)-N-ethyl-N-prop-2-ynylcyclopropane-1-carboxamide

C15H18N2O — CID 112558429

IUPAC1-(4-aminophenyl)-N-ethyl-N-prop-2-ynylcyclopropane-1-carboxamide
SMILESC#CCN(CC)C(=O)C1(c2ccc(N)cc2)CC1
InChIInChI=1S/C15H18N2O/c1-3-11-17(4-2)14(18)15(9-10-15)12-5-7-13(16)8-6-12/h1,5-8H,4,9-11,16H2,2H3
InChIKeyGEBDZSGBCNDYRK-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.78
Rot. Bonds4

About 1-(4-aminophenyl)-N-ethyl-N-prop-2-ynylcyclopropane-1-carboxamide

1-(4-aminophenyl)-N-ethyl-N-prop-2-ynylcyclopropane-1-carboxamide (PubChem CID 112558429) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-(4-aminophenyl)-N-ethyl-N-prop-2-ynylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-aminophenyl)-N-ethyl-N-prop-2-ynylcyclopropane-1-carboxamide
PubChem CID112558429
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name1-(4-aminophenyl)-N-ethyl-N-prop-2-ynylcyclopropane-1-carboxamide
SMILESC#CCN(CC)C(=O)C1(c2ccc(N)cc2)CC1
InChIInChI=1S/C15H18N2O/c1-3-11-17(4-2)14(18)15(9-10-15)12-5-7-13(16)8-6-12/h1,5-8H,4,9-11,16H2,2H3
InChIKeyGEBDZSGBCNDYRK-UHFFFAOYSA-N
XLogP1.78
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-aminophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-ethylcyclopropane-1-carboxamide
CID 115913375
1-(4-aminophenyl)-N,N-bis(2-hydroxyethyl)cyclopropane-1-carboxamide
CID 112558286
1-(4-aminophenyl)-N,N-bis(2-cyanoethyl)cyclopropane-1-carboxamide
CID 115913473
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
2-[[1-(4-aminophenyl)cyclopropanecarbonyl]-(2-methylpropyl)amino]acetic acid
CID 115913657
N-ethyl-1-methyl-N-prop-2-ynylcyclopentane-1-carboxamide
CID 78971175
2-[ethyl-(1-phenylcyclopropanecarbonyl)amino]acetic acid
CID 54900888
1-(4-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)cyclopropane-1-carboxamide
CID 60653694
1-(4-aminophenyl)-N-(2-ethoxyethyl)-N-methylcyclopropane-1-carboxamide
CID 112558421
1-(4-aminophenyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cyclopropane-1-carboxamide
CID 107479302
1-[1-(4-aminophenyl)cyclopropyl]-2-ethylbutan-1-one
CID 116611814

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-N-ethyl-N-prop-2-ynylcyclopropane-1-carboxamide?
The IUPAC name of 1-(4-aminophenyl)-N-ethyl-N-prop-2-ynylcyclopropane-1-carboxamide (CID 112558429) is 1-(4-aminophenyl)-N-ethyl-N-prop-2-ynylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-aminophenyl)-N-ethyl-N-prop-2-ynylcyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-aminophenyl)-N-ethyl-N-prop-2-ynylcyclopropane-1-carboxamide is C#CCN(CC)C(=O)C1(c2ccc(N)cc2)CC1.
What is the InChIKey of 1-(4-aminophenyl)-N-ethyl-N-prop-2-ynylcyclopropane-1-carboxamide?
The InChIKey is GEBDZSGBCNDYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-3-11-17(4-2)14(18)15(9-10-15)12-5-7-13(16)8-6-12/h1,5-8H,4,9-11,16H2,2H3.
What are the key properties of 1-(4-aminophenyl)-N-ethyl-N-prop-2-ynylcyclopropane-1-carboxamide?
1-(4-aminophenyl)-N-ethyl-N-prop-2-ynylcyclopropane-1-carboxamide has a molecular weight of 242.32 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-N-ethyl-N-prop-2-ynylcyclopropane-1-carboxamide is sourced from PubChem (CID 112558429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).