(E)-3-(4-chlorophenyl)-N,N-bis(2-hydroxyethyl)prop-2-enamide

C13H16ClNO3 — CID 6434089

IUPAC(E)-3-(4-chlorophenyl)-N,N-bis(2-hydroxyethyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)cc1)N(CCO)CCO
InChIInChI=1S/C13H16ClNO3/c14-12-4-1-11(2-5-12)3-6-13(18)15(7-9-16)8-10-17/h1-6,16-17H,7-10H2/b6-3+
InChIKeyUFDCJJCRRWOZJD-ZZXKWVIFSA-N
MW269.73 g/mol
LogP1.17
Rot. Bonds6

About (E)-3-(4-chlorophenyl)-N,N-bis(2-hydroxyethyl)prop-2-enamide

(E)-3-(4-chlorophenyl)-N,N-bis(2-hydroxyethyl)prop-2-enamide (PubChem CID 6434089) has the molecular formula C13H16ClNO3 and a molecular weight of 269.73 g/mol. Its IUPAC name is (E)-3-(4-chlorophenyl)-N,N-bis(2-hydroxyethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-chlorophenyl)-N,N-bis(2-hydroxyethyl)prop-2-enamide
PubChem CID6434089
Molecular FormulaC13H16ClNO3
Molecular Weight269.73 g/mol
Exact Mass269.08
IUPAC Name(E)-3-(4-chlorophenyl)-N,N-bis(2-hydroxyethyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)cc1)N(CCO)CCO
InChIInChI=1S/C13H16ClNO3/c14-12-4-1-11(2-5-12)3-6-13(18)15(7-9-16)8-10-17/h1-6,16-17H,7-10H2/b6-3+
InChIKeyUFDCJJCRRWOZJD-ZZXKWVIFSA-N
XLogP1.17
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-chlorophenyl)-N,N-bis(2-hydroxyethyl)prop-2-enamide?
The IUPAC name of (E)-3-(4-chlorophenyl)-N,N-bis(2-hydroxyethyl)prop-2-enamide (CID 6434089) is (E)-3-(4-chlorophenyl)-N,N-bis(2-hydroxyethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-chlorophenyl)-N,N-bis(2-hydroxyethyl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-chlorophenyl)-N,N-bis(2-hydroxyethyl)prop-2-enamide is O=C(/C=C/c1ccc(Cl)cc1)N(CCO)CCO.
What is the InChIKey of (E)-3-(4-chlorophenyl)-N,N-bis(2-hydroxyethyl)prop-2-enamide?
The InChIKey is UFDCJJCRRWOZJD-ZZXKWVIFSA-N. The full InChI is InChI=1S/C13H16ClNO3/c14-12-4-1-11(2-5-12)3-6-13(18)15(7-9-16)8-10-17/h1-6,16-17H,7-10H2/b6-3+.
What are the key properties of (E)-3-(4-chlorophenyl)-N,N-bis(2-hydroxyethyl)prop-2-enamide?
(E)-3-(4-chlorophenyl)-N,N-bis(2-hydroxyethyl)prop-2-enamide has a molecular weight of 269.73 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-chlorophenyl)-N,N-bis(2-hydroxyethyl)prop-2-enamide is sourced from PubChem (CID 6434089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).