(E)-3-(4-aminophenyl)-N-(2,2-dimethylbutyl)prop-2-enamide

C15H22N2O — CID 103461593

IUPAC(E)-3-(4-aminophenyl)-N-(2,2-dimethylbutyl)prop-2-enamide
SMILESCCC(C)(C)CNC(=O)/C=C/c1ccc(N)cc1
InChIInChI=1S/C15H22N2O/c1-4-15(2,3)11-17-14(18)10-7-12-5-8-13(16)9-6-12/h5-10H,4,11,16H2,1-3H3,(H,17,18)/b10-7+
InChIKeyTZHXCLSRRNMGHS-JXMROGBWSA-N
MW246.35 g/mol
LogP2.83
Rot. Bonds5

About (E)-3-(4-aminophenyl)-N-(2,2-dimethylbutyl)prop-2-enamide

(E)-3-(4-aminophenyl)-N-(2,2-dimethylbutyl)prop-2-enamide (PubChem CID 103461593) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is (E)-3-(4-aminophenyl)-N-(2,2-dimethylbutyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-aminophenyl)-N-(2,2-dimethylbutyl)prop-2-enamide
PubChem CID103461593
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name(E)-3-(4-aminophenyl)-N-(2,2-dimethylbutyl)prop-2-enamide
SMILESCCC(C)(C)CNC(=O)/C=C/c1ccc(N)cc1
InChIInChI=1S/C15H22N2O/c1-4-15(2,3)11-17-14(18)10-7-12-5-8-13(16)9-6-12/h5-10H,4,11,16H2,1-3H3,(H,17,18)/b10-7+
InChIKeyTZHXCLSRRNMGHS-JXMROGBWSA-N
XLogP2.83
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(4-aminophenyl)-N-(2-ethyl-2-hydroxybutyl)prop-2-enamide
CID 115344367
2-[[[(E)-3-(4-aminophenyl)prop-2-enoyl]amino]methyl]-2-ethylbutanoic acid
CID 115430395
ethyl 2-[[(E)-3-(4-aminophenyl)prop-2-enoyl]amino]acetate
CID 113290856
(E)-3-(4-aminophenyl)-N-(3-methyl-2-oxobutyl)prop-2-enamide
CID 59531443
(E)-3-(4-aminophenyl)-N-[(4-methylphenyl)methyl]prop-2-enamide
CID 84557574
(E)-3-(4-aminophenyl)-N-(3-hydroxybutyl)prop-2-enamide
CID 115344348
(E)-3-(4-aminophenyl)-N-[(4-chlorophenyl)methyl]prop-2-enamide
CID 84555657
3-(4-fluorophenyl)-N-(2-hydroxy-2-methylbutyl)prop-2-enamide
CID 77056546
(E)-3-(4-aminophenyl)prop-2-enehydrazide
CID 79006134
(E)-N-(4-aminobutyl)-3-(4-aminophenyl)prop-2-enamide
CID 113290885
2-[[[(E)-3-(4-aminophenyl)prop-2-enoyl]amino]methyl]pentanoic acid
CID 115344383
(E)-3-(4-aminophenyl)-N-(2-cyanoethyl)prop-2-enamide
CID 115342781

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-aminophenyl)-N-(2,2-dimethylbutyl)prop-2-enamide?
The IUPAC name of (E)-3-(4-aminophenyl)-N-(2,2-dimethylbutyl)prop-2-enamide (CID 103461593) is (E)-3-(4-aminophenyl)-N-(2,2-dimethylbutyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-aminophenyl)-N-(2,2-dimethylbutyl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-aminophenyl)-N-(2,2-dimethylbutyl)prop-2-enamide is CCC(C)(C)CNC(=O)/C=C/c1ccc(N)cc1.
What is the InChIKey of (E)-3-(4-aminophenyl)-N-(2,2-dimethylbutyl)prop-2-enamide?
The InChIKey is TZHXCLSRRNMGHS-JXMROGBWSA-N. The full InChI is InChI=1S/C15H22N2O/c1-4-15(2,3)11-17-14(18)10-7-12-5-8-13(16)9-6-12/h5-10H,4,11,16H2,1-3H3,(H,17,18)/b10-7+.
What are the key properties of (E)-3-(4-aminophenyl)-N-(2,2-dimethylbutyl)prop-2-enamide?
(E)-3-(4-aminophenyl)-N-(2,2-dimethylbutyl)prop-2-enamide has a molecular weight of 246.35 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-aminophenyl)-N-(2,2-dimethylbutyl)prop-2-enamide is sourced from PubChem (CID 103461593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).