(E)-3-(3-aminophenyl)-N-(2-hydroxyethyl)-N-propylprop-2-enamide

C14H20N2O2 — CID 115343268

IUPAC(E)-3-(3-aminophenyl)-N-(2-hydroxyethyl)-N-propylprop-2-enamide
SMILESCCCN(CCO)C(=O)/C=C/c1cccc(N)c1
InChIInChI=1S/C14H20N2O2/c1-2-8-16(9-10-17)14(18)7-6-12-4-3-5-13(15)11-12/h3-7,11,17H,2,8-10,15H2,1H3/b7-6+
InChIKeyFDVGUMOVNMKTJK-VOTSOKGWSA-N
MW248.33 g/mol
LogP1.51
Rot. Bonds6

About (E)-3-(3-aminophenyl)-N-(2-hydroxyethyl)-N-propylprop-2-enamide

(E)-3-(3-aminophenyl)-N-(2-hydroxyethyl)-N-propylprop-2-enamide (PubChem CID 115343268) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (E)-3-(3-aminophenyl)-N-(2-hydroxyethyl)-N-propylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-aminophenyl)-N-(2-hydroxyethyl)-N-propylprop-2-enamide
PubChem CID115343268
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(E)-3-(3-aminophenyl)-N-(2-hydroxyethyl)-N-propylprop-2-enamide
SMILESCCCN(CCO)C(=O)/C=C/c1cccc(N)c1
InChIInChI=1S/C14H20N2O2/c1-2-8-16(9-10-17)14(18)7-6-12-4-3-5-13(15)11-12/h3-7,11,17H,2,8-10,15H2,1H3/b7-6+
InChIKeyFDVGUMOVNMKTJK-VOTSOKGWSA-N
XLogP1.51
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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,N-diethylprop-2-enamide
CID 39243869
(E)-3-(3-aminophenyl)-N-ethyl-N-(2-methoxyethyl)prop-2-enamide
CID 115343730
(E)-3-(3-aminophenyl)-N-ethyl-N-(2-methylpropyl)prop-2-enamide
CID 115342801
(E)-3-(3-aminophenyl)-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)prop-2-enamide
CID 115343398
(E)-3-(3-aminophenyl)-N-butan-2-yl-N-methylprop-2-enamide
CID 115342800
2-[[(E)-3-(3-methylphenyl)prop-2-enoyl]-propylamino]acetic acid
CID 61012488
(E)-3-(3-aminophenyl)-N-[3-(dimethylamino)propyl]-N-methylprop-2-enamide
CID 115344167
2-[3-(3-aminophenyl)prop-2-enoyl-methylamino]pentanoic acid
CID 175537141
(E)-3-(3-aminophenyl)-N-methyl-N-(2-phenylethyl)prop-2-enamide
CID 115343324
3-[4-(dimethylamino)phenyl]-N,N-bis(2-hydroxyethyl)prop-2-enamide
CID 61234524
3-[[(E)-3-(3-aminophenyl)prop-2-enoyl]-tert-butylamino]propanoic acid
CID 115343546
3-[[(E)-3-(3-aminophenyl)prop-2-enoyl]-propan-2-ylamino]propanoic acid
CID 115343544

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-aminophenyl)-N-(2-hydroxyethyl)-N-propylprop-2-enamide?
The IUPAC name of (E)-3-(3-aminophenyl)-N-(2-hydroxyethyl)-N-propylprop-2-enamide (CID 115343268) is (E)-3-(3-aminophenyl)-N-(2-hydroxyethyl)-N-propylprop-2-enamide.
What is the SMILES notation for (E)-3-(3-aminophenyl)-N-(2-hydroxyethyl)-N-propylprop-2-enamide?
The canonical SMILES for (E)-3-(3-aminophenyl)-N-(2-hydroxyethyl)-N-propylprop-2-enamide is CCCN(CCO)C(=O)/C=C/c1cccc(N)c1.
What is the InChIKey of (E)-3-(3-aminophenyl)-N-(2-hydroxyethyl)-N-propylprop-2-enamide?
The InChIKey is FDVGUMOVNMKTJK-VOTSOKGWSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-2-8-16(9-10-17)14(18)7-6-12-4-3-5-13(15)11-12/h3-7,11,17H,2,8-10,15H2,1H3/b7-6+.
What are the key properties of (E)-3-(3-aminophenyl)-N-(2-hydroxyethyl)-N-propylprop-2-enamide?
(E)-3-(3-aminophenyl)-N-(2-hydroxyethyl)-N-propylprop-2-enamide has a molecular weight of 248.33 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-aminophenyl)-N-(2-hydroxyethyl)-N-propylprop-2-enamide is sourced from PubChem (CID 115343268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).