(E)-3-(3-aminophenyl)-N-(2-ethylhexyl)prop-2-enamide

C17H26N2O — CID 115343618

IUPAC(E)-3-(3-aminophenyl)-N-(2-ethylhexyl)prop-2-enamide
SMILESCCCCC(CC)CNC(=O)/C=C/c1cccc(N)c1
InChIInChI=1S/C17H26N2O/c1-3-5-7-14(4-2)13-19-17(20)11-10-15-8-6-9-16(18)12-15/h6,8-12,14H,3-5,7,13,18H2,1-2H3,(H,19,20)/b11-10+
InChIKeyNLWVTKWVCOLAIZ-ZHACJKMWSA-N
MW274.41 g/mol
LogP3.61
Rot. Bonds8

About (E)-3-(3-aminophenyl)-N-(2-ethylhexyl)prop-2-enamide

(E)-3-(3-aminophenyl)-N-(2-ethylhexyl)prop-2-enamide (PubChem CID 115343618) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is (E)-3-(3-aminophenyl)-N-(2-ethylhexyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-aminophenyl)-N-(2-ethylhexyl)prop-2-enamide
PubChem CID115343618
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name(E)-3-(3-aminophenyl)-N-(2-ethylhexyl)prop-2-enamide
SMILESCCCCC(CC)CNC(=O)/C=C/c1cccc(N)c1
InChIInChI=1S/C17H26N2O/c1-3-5-7-14(4-2)13-19-17(20)11-10-15-8-6-9-16(18)12-15/h6,8-12,14H,3-5,7,13,18H2,1-2H3,(H,19,20)/b11-10+
InChIKeyNLWVTKWVCOLAIZ-ZHACJKMWSA-N
XLogP3.61
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.61
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-(3-aminophenyl)-N-hexan-2-ylprop-2-enamide
CID 113290920
(E)-3-(3-aminophenyl)-N-(4-hydroxy-2-methylbutyl)prop-2-enamide
CID 115344482
(E)-3-(3-aminophenyl)-N-ethylprop-2-enamide
CID 39238221
3-(3,4-dimethoxyphenyl)-N-(2-ethylhexyl)prop-2-enamide
CID 3881543
(E)-3-(3-aminophenyl)-N-(2,3-dihydroxypropyl)prop-2-enamide
CID 115344489
4-[[(E)-3-(3-aminophenyl)prop-2-enoyl]amino]-3-methylbutanoic acid
CID 115344698
2-[[[(E)-3-(3-aminophenyl)prop-2-enoyl]amino]methyl]-3-methylbutanoic acid
CID 115344380
(E)-N-(2-ethylhexyl)-3-(furan-2-yl)prop-2-enamide
CID 6382996
(E)-3-(3-aminophenyl)-N-[2-ethyl-2-(hydroxymethyl)butyl]prop-2-enamide
CID 106255530
3-[[[(E)-3-(3-methylphenyl)prop-2-enoyl]amino]methyl]pentanoic acid
CID 81066136
(E)-3-(3-aminophenyl)-N-(3-hydroxypropyl)prop-2-enamide
CID 115342777
(E)-3-(3-aminophenyl)-N-(3-aminopropyl)prop-2-enamide
CID 115343655

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-aminophenyl)-N-(2-ethylhexyl)prop-2-enamide?
The IUPAC name of (E)-3-(3-aminophenyl)-N-(2-ethylhexyl)prop-2-enamide (CID 115343618) is (E)-3-(3-aminophenyl)-N-(2-ethylhexyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3-aminophenyl)-N-(2-ethylhexyl)prop-2-enamide?
The canonical SMILES for (E)-3-(3-aminophenyl)-N-(2-ethylhexyl)prop-2-enamide is CCCCC(CC)CNC(=O)/C=C/c1cccc(N)c1.
What is the InChIKey of (E)-3-(3-aminophenyl)-N-(2-ethylhexyl)prop-2-enamide?
The InChIKey is NLWVTKWVCOLAIZ-ZHACJKMWSA-N. The full InChI is InChI=1S/C17H26N2O/c1-3-5-7-14(4-2)13-19-17(20)11-10-15-8-6-9-16(18)12-15/h6,8-12,14H,3-5,7,13,18H2,1-2H3,(H,19,20)/b11-10+.
What are the key properties of (E)-3-(3-aminophenyl)-N-(2-ethylhexyl)prop-2-enamide?
(E)-3-(3-aminophenyl)-N-(2-ethylhexyl)prop-2-enamide has a molecular weight of 274.41 g/mol, XLogP of 3.61, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-aminophenyl)-N-(2-ethylhexyl)prop-2-enamide is sourced from PubChem (CID 115343618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).