4-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]-N-(3-methoxypropyl)benzamide

C21H24N2O4 — CID 17204984

IUPAC4-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]-N-(3-methoxypropyl)benzamide
SMILESCOCCCNC(=O)c1ccc(NC(=O)/C=C/c2ccccc2OC)cc1
InChIInChI=1S/C21H24N2O4/c1-26-15-5-14-22-21(25)17-8-11-18(12-9-17)23-20(24)13-10-16-6-3-4-7-19(16)27-2/h3-4,6-13H,5,14-15H2,1-2H3,(H,22,25)(H,23,24)/b13-10+
InChIKeyPQUPMWNAYJYWRP-JLHYYAGUSA-N
MW368.43 g/mol
LogP3.11
Rot. Bonds9

About 4-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]-N-(3-methoxypropyl)benzamide

4-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]-N-(3-methoxypropyl)benzamide (PubChem CID 17204984) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 4-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]-N-(3-methoxypropyl)benzamide.

Molecular Properties

Compound Name4-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]-N-(3-methoxypropyl)benzamide
PubChem CID17204984
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name4-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]-N-(3-methoxypropyl)benzamide
SMILESCOCCCNC(=O)c1ccc(NC(=O)/C=C/c2ccccc2OC)cc1
InChIInChI=1S/C21H24N2O4/c1-26-15-5-14-22-21(25)17-8-11-18(12-9-17)23-20(24)13-10-16-6-3-4-7-19(16)27-2/h3-4,6-13H,5,14-15H2,1-2H3,(H,22,25)(H,23,24)/b13-10+
InChIKeyPQUPMWNAYJYWRP-JLHYYAGUSA-N
XLogP3.11
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]carbamothioylamino]-N-(3-methoxypropyl)benzamide
CID 17205311
N-butyl-4-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]benzamide
CID 17195121
4-tert-butyl-N-[4-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]phenyl]benzamide
CID 17234965
ethyl 4-[3-(2-methoxyphenyl)prop-2-enoylamino]benzoate
CID 887040
4-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 17205611
(E)-N-(4-iodophenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 1308180
4-[[2-(2-methoxyanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide
CID 54817195
3,4-dimethoxy-N-[2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]ethyl]benzamide
CID 108935148
N-[4-[[3-(2-methoxyphenyl)prop-2-enoylamino]carbamoyl]phenyl]propanamide
CID 5020772
N-heptyl-3-(2-methoxyphenyl)prop-2-enamide
CID 3506378
(E)-3-(2-methoxyphenyl)-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]prop-2-enamide
CID 108933915
N,N'-bis[4-(3-methoxypropylcarbamoyl)phenyl]pentanediamide
CID 17205407

Frequently Asked Questions

What is the IUPAC name of 4-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]-N-(3-methoxypropyl)benzamide?
The IUPAC name of 4-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]-N-(3-methoxypropyl)benzamide (CID 17204984) is 4-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]-N-(3-methoxypropyl)benzamide.
What is the SMILES notation for 4-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]-N-(3-methoxypropyl)benzamide?
The canonical SMILES for 4-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]-N-(3-methoxypropyl)benzamide is COCCCNC(=O)c1ccc(NC(=O)/C=C/c2ccccc2OC)cc1.
What is the InChIKey of 4-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]-N-(3-methoxypropyl)benzamide?
The InChIKey is PQUPMWNAYJYWRP-JLHYYAGUSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-26-15-5-14-22-21(25)17-8-11-18(12-9-17)23-20(24)13-10-16-6-3-4-7-19(16)27-2/h3-4,6-13H,5,14-15H2,1-2H3,(H,22,25)(H,23,24)/b13-10+.
What are the key properties of 4-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]-N-(3-methoxypropyl)benzamide?
4-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]-N-(3-methoxypropyl)benzamide has a molecular weight of 368.43 g/mol, XLogP of 3.11, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]-N-(3-methoxypropyl)benzamide is sourced from PubChem (CID 17204984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).