2-(4-aminophenyl)-N,N-bis(prop-2-enyl)acetamide

C14H18N2O — CID 24699849

IUPAC2-(4-aminophenyl)-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)Cc1ccc(N)cc1
InChIInChI=1S/C14H18N2O/c1-3-9-16(10-4-2)14(17)11-12-5-7-13(15)8-6-12/h3-8H,1-2,9-11,15H2
InChIKeyQDEMIULYOIRXRZ-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.01
Rot. Bonds6

About 2-(4-aminophenyl)-N,N-bis(prop-2-enyl)acetamide

2-(4-aminophenyl)-N,N-bis(prop-2-enyl)acetamide (PubChem CID 24699849) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N,N-bis(prop-2-enyl)acetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N,N-bis(prop-2-enyl)acetamide
PubChem CID24699849
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name2-(4-aminophenyl)-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)Cc1ccc(N)cc1
InChIInChI=1S/C14H18N2O/c1-3-9-16(10-4-2)14(17)11-12-5-7-13(15)8-6-12/h3-8H,1-2,9-11,15H2
InChIKeyQDEMIULYOIRXRZ-UHFFFAOYSA-N
XLogP2.01
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxyethyl)-2-(4-hydroxyphenyl)-N-prop-2-enylacetamide
CID 113340604
3-(4-aminophenoxy)-N,N-bis(prop-2-enyl)propanamide
CID 61117568
2-(3,4-dimethoxyphenyl)-N,N-bis(prop-2-enyl)acetamide
CID 720349
prop-2-enyl 2-(4-aminophenyl)acetate
CID 91683020
2-(4-aminophenyl)-N,N-dibutylacetamide
CID 28982323
N-[4-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide
CID 60571464
2-(2-hydroxyphenyl)-N,N-bis(prop-2-enyl)acetamide
CID 71864379
N-(2-hydroxyethyl)-2-(4-nitrophenyl)-N-prop-2-enylacetamide
CID 115775556
2-(4-aminophenyl)-N-ethyl-N-(2-methylpropyl)acetamide;hydrochloride
CID 119732292
1-(4-aminophenyl)-N,N-bis(prop-2-enyl)cyclopropane-1-carboxamide
CID 112558169
2-(4-cyanophenyl)-N-(2-methoxyethyl)-N-prop-2-enylacetamide
CID 103338978
2-(3,4-dimethylphenyl)-N-(2-hydroxyethyl)-N-prop-2-enylacetamide
CID 115775942

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N,N-bis(prop-2-enyl)acetamide?
The IUPAC name of 2-(4-aminophenyl)-N,N-bis(prop-2-enyl)acetamide (CID 24699849) is 2-(4-aminophenyl)-N,N-bis(prop-2-enyl)acetamide.
What is the SMILES notation for 2-(4-aminophenyl)-N,N-bis(prop-2-enyl)acetamide?
The canonical SMILES for 2-(4-aminophenyl)-N,N-bis(prop-2-enyl)acetamide is C=CCN(CC=C)C(=O)Cc1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N,N-bis(prop-2-enyl)acetamide?
The InChIKey is QDEMIULYOIRXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-3-9-16(10-4-2)14(17)11-12-5-7-13(15)8-6-12/h3-8H,1-2,9-11,15H2.
What are the key properties of 2-(4-aminophenyl)-N,N-bis(prop-2-enyl)acetamide?
2-(4-aminophenyl)-N,N-bis(prop-2-enyl)acetamide has a molecular weight of 230.31 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N,N-bis(prop-2-enyl)acetamide is sourced from PubChem (CID 24699849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).