1-(4-aminophenyl)-N,N-bis(prop-2-enyl)cyclopropane-1-carboxamide

C16H20N2O — CID 112558169

IUPAC1-(4-aminophenyl)-N,N-bis(prop-2-enyl)cyclopropane-1-carboxamide
SMILESC=CCN(CC=C)C(=O)C1(c2ccc(N)cc2)CC1
InChIInChI=1S/C16H20N2O/c1-3-11-18(12-4-2)15(19)16(9-10-16)13-5-7-14(17)8-6-13/h3-8H,1-2,9-12,17H2
InChIKeyFOPXDXLDWVYEGM-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.50
Rot. Bonds6

About 1-(4-aminophenyl)-N,N-bis(prop-2-enyl)cyclopropane-1-carboxamide

1-(4-aminophenyl)-N,N-bis(prop-2-enyl)cyclopropane-1-carboxamide (PubChem CID 112558169) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-(4-aminophenyl)-N,N-bis(prop-2-enyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-aminophenyl)-N,N-bis(prop-2-enyl)cyclopropane-1-carboxamide
PubChem CID112558169
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name1-(4-aminophenyl)-N,N-bis(prop-2-enyl)cyclopropane-1-carboxamide
SMILESC=CCN(CC=C)C(=O)C1(c2ccc(N)cc2)CC1
InChIInChI=1S/C16H20N2O/c1-3-11-18(12-4-2)15(19)16(9-10-16)13-5-7-14(17)8-6-13/h3-8H,1-2,9-12,17H2
InChIKeyFOPXDXLDWVYEGM-UHFFFAOYSA-N
XLogP2.50
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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-ethyl-N-prop-2-ynylcyclopropane-1-carboxamide
CID 112558429
2-[[1-(4-aminophenyl)cyclopropanecarbonyl]-(2-methylpropyl)amino]acetic acid
CID 115913657
2-(4-aminophenyl)-N,N-bis(prop-2-enyl)acetamide
CID 24699849
1-amino-N,N-bis(prop-2-enyl)cyclopropane-1-carboxamide
CID 65464830
1-(4-aminophenyl)-N-cyclohexyl-N-ethylcyclopropane-1-carboxamide
CID 115913190
2-[[1-(4-aminophenyl)cyclopropanecarbonyl]-methylamino]-2-methylpropanoic acid
CID 115913638
1-(4-aminophenyl)-N-(2-ethoxyethyl)-N-methylcyclopropane-1-carboxamide
CID 112558421
1-(4-aminophenyl)-N-cyclohexyl-N-methylcyclopropane-1-carboxamide
CID 115913184
[1-(4-aminophenyl)cyclopropyl]-(3-chlorothiophen-2-yl)methanone
CID 107361566
1-[1-(4-aminophenyl)cyclopropyl]-2-ethylbutan-1-one
CID 116611814

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-N,N-bis(prop-2-enyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-aminophenyl)-N,N-bis(prop-2-enyl)cyclopropane-1-carboxamide (CID 112558169) is 1-(4-aminophenyl)-N,N-bis(prop-2-enyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-aminophenyl)-N,N-bis(prop-2-enyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-aminophenyl)-N,N-bis(prop-2-enyl)cyclopropane-1-carboxamide is C=CCN(CC=C)C(=O)C1(c2ccc(N)cc2)CC1.
What is the InChIKey of 1-(4-aminophenyl)-N,N-bis(prop-2-enyl)cyclopropane-1-carboxamide?
The InChIKey is FOPXDXLDWVYEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-3-11-18(12-4-2)15(19)16(9-10-16)13-5-7-14(17)8-6-13/h3-8H,1-2,9-12,17H2.
What are the key properties of 1-(4-aminophenyl)-N,N-bis(prop-2-enyl)cyclopropane-1-carboxamide?
1-(4-aminophenyl)-N,N-bis(prop-2-enyl)cyclopropane-1-carboxamide has a molecular weight of 256.35 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-N,N-bis(prop-2-enyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 112558169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).