(E)-3-(2-chlorophenyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)prop-2-enamide

C14H18ClNO3 — CID 115902440

IUPAC(E)-3-(2-chlorophenyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)prop-2-enamide
SMILESCOCCN(CCO)C(=O)/C=C/c1ccccc1Cl
InChIInChI=1S/C14H18ClNO3/c1-19-11-9-16(8-10-17)14(18)7-6-12-4-2-3-5-13(12)15/h2-7,17H,8-11H2,1H3/b7-6+
InChIKeyWTCHOZLUTDRFRY-VOTSOKGWSA-N
MW283.75 g/mol
LogP1.82
Rot. Bonds7

About (E)-3-(2-chlorophenyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)prop-2-enamide

(E)-3-(2-chlorophenyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)prop-2-enamide (PubChem CID 115902440) has the molecular formula C14H18ClNO3 and a molecular weight of 283.75 g/mol. Its IUPAC name is (E)-3-(2-chlorophenyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-chlorophenyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)prop-2-enamide
PubChem CID115902440
Molecular FormulaC14H18ClNO3
Molecular Weight283.75 g/mol
Exact Mass283.10
IUPAC Name(E)-3-(2-chlorophenyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)prop-2-enamide
SMILESCOCCN(CCO)C(=O)/C=C/c1ccccc1Cl
InChIInChI=1S/C14H18ClNO3/c1-19-11-9-16(8-10-17)14(18)7-6-12-4-2-3-5-13(12)15/h2-7,17H,8-11H2,1H3/b7-6+
InChIKeyWTCHOZLUTDRFRY-VOTSOKGWSA-N
XLogP1.82
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(1,3-benzoxazol-2-yl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)prop-2-enamide
CID 115772752
3-(2-chlorophenyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)propanamide
CID 115902164
(E)-3-(5-bromofuran-2-yl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)prop-2-enamide
CID 113351113
(E)-3-(2-chlorophenyl)-N,N-bis(prop-2-enyl)prop-2-enamide
CID 879942
2-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]-ethylamino]acetic acid
CID 54901044
N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide
CID 115772786
(E)-3-(2,4-dichlorophenyl)-N-ethyl-N-(2-hydroxyethyl)prop-2-enamide
CID 60740083
(E)-N-benzyl-N-(2-hydroxyethyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 78854558
3-chloro-2-fluoro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide
CID 115902215
(E)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
CID 115772807
(E)-N-butyl-3-(2-chlorophenyl)-N-phenylprop-2-enamide
CID 17256732
(E)-N-benzyl-3-(2,6-dichlorophenyl)-N-(2-hydroxyethyl)prop-2-enamide
CID 78854693

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-chlorophenyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)prop-2-enamide?
The IUPAC name of (E)-3-(2-chlorophenyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)prop-2-enamide (CID 115902440) is (E)-3-(2-chlorophenyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2-chlorophenyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)prop-2-enamide?
The canonical SMILES for (E)-3-(2-chlorophenyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)prop-2-enamide is COCCN(CCO)C(=O)/C=C/c1ccccc1Cl.
What is the InChIKey of (E)-3-(2-chlorophenyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)prop-2-enamide?
The InChIKey is WTCHOZLUTDRFRY-VOTSOKGWSA-N. The full InChI is InChI=1S/C14H18ClNO3/c1-19-11-9-16(8-10-17)14(18)7-6-12-4-2-3-5-13(12)15/h2-7,17H,8-11H2,1H3/b7-6+.
What are the key properties of (E)-3-(2-chlorophenyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)prop-2-enamide?
(E)-3-(2-chlorophenyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)prop-2-enamide has a molecular weight of 283.75 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-chlorophenyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)prop-2-enamide is sourced from PubChem (CID 115902440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).