3-(2-chlorophenyl)-N-[3-[2-(dipropylamino)ethoxy]-4-methoxyphenyl]prop-2-enamide

C24H31ClN2O3 — CID 70144077

IUPAC3-(2-chlorophenyl)-N-[3-[2-(dipropylamino)ethoxy]-4-methoxyphenyl]prop-2-enamide
SMILESCCCN(CCC)CCOc1cc(NC(=O)C=Cc2ccccc2Cl)ccc1OC
InChIInChI=1S/C24H31ClN2O3/c1-4-14-27(15-5-2)16-17-30-23-18-20(11-12-22(23)29-3)26-24(28)13-10-19-8-6-7-9-21(19)25/h6-13,18H,4-5,14-17H2,1-3H3,(H,26,28)
InChIKeySPFSORKXEMXPCH-UHFFFAOYSA-N
MW430.98 g/mol
LogP5.50
Rot. Bonds12

About 3-(2-chlorophenyl)-N-[3-[2-(dipropylamino)ethoxy]-4-methoxyphenyl]prop-2-enamide

3-(2-chlorophenyl)-N-[3-[2-(dipropylamino)ethoxy]-4-methoxyphenyl]prop-2-enamide (PubChem CID 70144077) has the molecular formula C24H31ClN2O3 and a molecular weight of 430.98 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-[3-[2-(dipropylamino)ethoxy]-4-methoxyphenyl]prop-2-enamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-[3-[2-(dipropylamino)ethoxy]-4-methoxyphenyl]prop-2-enamide
PubChem CID70144077
Molecular FormulaC24H31ClN2O3
Molecular Weight430.98 g/mol
Exact Mass430.20
IUPAC Name3-(2-chlorophenyl)-N-[3-[2-(dipropylamino)ethoxy]-4-methoxyphenyl]prop-2-enamide
SMILESCCCN(CCC)CCOc1cc(NC(=O)C=Cc2ccccc2Cl)ccc1OC
InChIInChI=1S/C24H31ClN2O3/c1-4-14-27(15-5-2)16-17-30-23-18-20(11-12-22(23)29-3)26-24(28)13-10-19-8-6-7-9-21(19)25/h6-13,18H,4-5,14-17H2,1-3H3,(H,26,28)
InChIKeySPFSORKXEMXPCH-UHFFFAOYSA-N
XLogP5.50
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.98
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2,4-dichlorophenyl)-N-[3-[2-(dipropylamino)ethoxy]-4-methoxyphenyl]prop-2-enamide
CID 70143968
3-(1-benzothiophen-2-yl)-N-[3-[2-(dipropylamino)ethoxy]-4-methoxyphenyl]prop-2-enamide
CID 70143434
N-[3-[2-(dipropylamino)ethoxy]-4-methoxyphenyl]-3-pyridin-3-ylprop-2-enamide
CID 70147305
N-[3-[2-(dipropylamino)ethoxy]-4-methoxyphenyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 70145793
(E)-3-(2-chlorophenyl)-N-[(3,4-dimethoxyphenyl)carbamothioyl]prop-2-enamide
CID 54781507
N-[3-[3-(dipropylamino)propoxy]-4-methoxyphenyl]-3-(4-propylphenyl)prop-2-enamide
CID 70145513
(E)-3-(2,5-dimethoxyphenyl)-N-(3,4-dipropoxyphenyl)prop-2-enamide
CID 7924138
3-(2-chlorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide
CID 692551
(E)-3-(2-chlorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide
CID 692552
(E)-3-(2-chlorophenyl)-N-[3-[2-[4-(1H-indol-2-ylmethyl)piperidin-1-yl]ethoxy]-4-methoxyphenyl]prop-2-enamide;hydrochloride
CID 44535387
(E)-3-(2-chloro-4-fluorophenyl)-N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]prop-2-enamide;(E)-3-(2-chloro-4-fluorophenyl)-N-[3-[3-[di(propan-2-yl)amino]propyl]-4-methoxyphenyl]prop-2-enamide
CID 70145615
(E)-3-(2-chlorophenyl)-N-(3,4-dichlorophenyl)prop-2-enamide
CID 966048

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-[3-[2-(dipropylamino)ethoxy]-4-methoxyphenyl]prop-2-enamide?
The IUPAC name of 3-(2-chlorophenyl)-N-[3-[2-(dipropylamino)ethoxy]-4-methoxyphenyl]prop-2-enamide (CID 70144077) is 3-(2-chlorophenyl)-N-[3-[2-(dipropylamino)ethoxy]-4-methoxyphenyl]prop-2-enamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-[3-[2-(dipropylamino)ethoxy]-4-methoxyphenyl]prop-2-enamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-[3-[2-(dipropylamino)ethoxy]-4-methoxyphenyl]prop-2-enamide is CCCN(CCC)CCOc1cc(NC(=O)C=Cc2ccccc2Cl)ccc1OC.
What is the InChIKey of 3-(2-chlorophenyl)-N-[3-[2-(dipropylamino)ethoxy]-4-methoxyphenyl]prop-2-enamide?
The InChIKey is SPFSORKXEMXPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31ClN2O3/c1-4-14-27(15-5-2)16-17-30-23-18-20(11-12-22(23)29-3)26-24(28)13-10-19-8-6-7-9-21(19)25/h6-13,18H,4-5,14-17H2,1-3H3,(H,26,28).
What are the key properties of 3-(2-chlorophenyl)-N-[3-[2-(dipropylamino)ethoxy]-4-methoxyphenyl]prop-2-enamide?
3-(2-chlorophenyl)-N-[3-[2-(dipropylamino)ethoxy]-4-methoxyphenyl]prop-2-enamide has a molecular weight of 430.98 g/mol, XLogP of 5.50, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-[3-[2-(dipropylamino)ethoxy]-4-methoxyphenyl]prop-2-enamide is sourced from PubChem (CID 70144077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).