2-(4-aminophenyl)-2-methyl-N-propan-2-yl-N-prop-2-enylpropanamide

C16H24N2O — CID 80556777

IUPAC2-(4-aminophenyl)-2-methyl-N-propan-2-yl-N-prop-2-enylpropanamide
SMILESC=CCN(C(=O)C(C)(C)c1ccc(N)cc1)C(C)C
InChIInChI=1S/C16H24N2O/c1-6-11-18(12(2)3)15(19)16(4,5)13-7-9-14(17)10-8-13/h6-10,12H,1,11,17H2,2-5H3
InChIKeyHFDQFXYMZZUGAU-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.97
Rot. Bonds5

About 2-(4-aminophenyl)-2-methyl-N-propan-2-yl-N-prop-2-enylpropanamide

2-(4-aminophenyl)-2-methyl-N-propan-2-yl-N-prop-2-enylpropanamide (PubChem CID 80556777) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-(4-aminophenyl)-2-methyl-N-propan-2-yl-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-2-methyl-N-propan-2-yl-N-prop-2-enylpropanamide
PubChem CID80556777
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-(4-aminophenyl)-2-methyl-N-propan-2-yl-N-prop-2-enylpropanamide
SMILESC=CCN(C(=O)C(C)(C)c1ccc(N)cc1)C(C)C
InChIInChI=1S/C16H24N2O/c1-6-11-18(12(2)3)15(19)16(4,5)13-7-9-14(17)10-8-13/h6-10,12H,1,11,17H2,2-5H3
InChIKeyHFDQFXYMZZUGAU-UHFFFAOYSA-N
XLogP2.97
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.97
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

2-(4-aminophenyl)-N,N,2-trimethylpropanamide
CID 80556055
2-(4-aminophenyl)-N-(2-hydroxyethyl)-N,2-dimethylpropanamide
CID 80503099
2-(4-aminophenyl)-N-(2-cyanopropyl)-N,2-dimethylpropanamide
CID 80556874
N-(4-aminophenyl)-2-[bis(prop-2-enyl)amino]propanamide
CID 82224550
2-(4-aminophenyl)-2-methylpropanoyl chloride
CID 117047669
4-[4-[propan-2-yl(prop-2-enyl)amino]butan-2-yl]aniline
CID 104501778
3-amino-2-methyl-N-propan-2-yl-N-prop-2-enylbenzamide
CID 61108768
3-tert-butyl-1-propan-2-yl-1-prop-2-enylurea
CID 115585835
2-(4-aminophenyl)-N-(cyclopropylmethyl)-N,2-dimethylpropanamide
CID 80556761
(2R)-2-[[2-(4-aminophenyl)-2-methylpropanoyl]amino]-3-hydroxypropanoic acid
CID 80751613
methyl 2-[[2-(4-aminophenyl)-2-methylpropanoyl]-methylamino]acetate
CID 80556809
2-(4-aminophenyl)-N,2-dimethyl-N-[2-(methylamino)ethyl]propanamide
CID 80556205

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-2-methyl-N-propan-2-yl-N-prop-2-enylpropanamide?
The IUPAC name of 2-(4-aminophenyl)-2-methyl-N-propan-2-yl-N-prop-2-enylpropanamide (CID 80556777) is 2-(4-aminophenyl)-2-methyl-N-propan-2-yl-N-prop-2-enylpropanamide.
What is the SMILES notation for 2-(4-aminophenyl)-2-methyl-N-propan-2-yl-N-prop-2-enylpropanamide?
The canonical SMILES for 2-(4-aminophenyl)-2-methyl-N-propan-2-yl-N-prop-2-enylpropanamide is C=CCN(C(=O)C(C)(C)c1ccc(N)cc1)C(C)C.
What is the InChIKey of 2-(4-aminophenyl)-2-methyl-N-propan-2-yl-N-prop-2-enylpropanamide?
The InChIKey is HFDQFXYMZZUGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-6-11-18(12(2)3)15(19)16(4,5)13-7-9-14(17)10-8-13/h6-10,12H,1,11,17H2,2-5H3.
What are the key properties of 2-(4-aminophenyl)-2-methyl-N-propan-2-yl-N-prop-2-enylpropanamide?
2-(4-aminophenyl)-2-methyl-N-propan-2-yl-N-prop-2-enylpropanamide has a molecular weight of 260.38 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-2-methyl-N-propan-2-yl-N-prop-2-enylpropanamide is sourced from PubChem (CID 80556777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).