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

C21H24N2O3 — CID 17195121

IUPACN-butyl-4-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]benzamide
SMILESCCCCNC(=O)c1ccc(NC(=O)/C=C/c2ccccc2OC)cc1
InChIInChI=1S/C21H24N2O3/c1-3-4-15-22-21(25)17-9-12-18(13-10-17)23-20(24)14-11-16-7-5-6-8-19(16)26-2/h5-14H,3-4,15H2,1-2H3,(H,22,25)(H,23,24)/b14-11+
InChIKeyDBDOHXKPUYNMDF-SDNWHVSQSA-N
MW352.43 g/mol
LogP3.88
Rot. Bonds8

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

N-butyl-4-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]benzamide (PubChem CID 17195121) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-butyl-4-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]benzamide.

Molecular Properties

Compound NameN-butyl-4-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]benzamide
PubChem CID17195121
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-butyl-4-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]benzamide
SMILESCCCCNC(=O)c1ccc(NC(=O)/C=C/c2ccccc2OC)cc1
InChIInChI=1S/C21H24N2O3/c1-3-4-15-22-21(25)17-9-12-18(13-10-17)23-20(24)14-11-16-7-5-6-8-19(16)26-2/h5-14H,3-4,15H2,1-2H3,(H,22,25)(H,23,24)/b14-11+
InChIKeyDBDOHXKPUYNMDF-SDNWHVSQSA-N
XLogP3.88
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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]amino]-N-(3-methoxypropyl)benzamide
CID 17204984
4-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]carbamothioylamino]-N-(3-methoxypropyl)benzamide
CID 17205311
N-heptyl-3-(2-methoxyphenyl)prop-2-enamide
CID 3506378
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
N-[4-(butylcarbamoyl)phenyl]-2-methoxybenzamide
CID 17195196
N-[4-[[3-(2-methoxyphenyl)prop-2-enoylamino]carbamoyl]phenyl]propanamide
CID 5020772
4-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 17205611
(E)-N-(heptylcarbamothioyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 6106605
(E)-N-(4-iodophenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 1308180
3,4-dimethoxy-N-[2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]ethyl]benzamide
CID 108935148
methyl 2-[[4-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]benzoyl]amino]acetate
CID 51213111

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]benzamide?
The IUPAC name of N-butyl-4-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]benzamide (CID 17195121) is N-butyl-4-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]benzamide.
What is the SMILES notation for N-butyl-4-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]benzamide?
The canonical SMILES for N-butyl-4-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]benzamide is CCCCNC(=O)c1ccc(NC(=O)/C=C/c2ccccc2OC)cc1.
What is the InChIKey of N-butyl-4-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]benzamide?
The InChIKey is DBDOHXKPUYNMDF-SDNWHVSQSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-3-4-15-22-21(25)17-9-12-18(13-10-17)23-20(24)14-11-16-7-5-6-8-19(16)26-2/h5-14H,3-4,15H2,1-2H3,(H,22,25)(H,23,24)/b14-11+.
What are the key properties of N-butyl-4-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]benzamide?
N-butyl-4-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]benzamide has a molecular weight of 352.43 g/mol, XLogP of 3.88, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]benzamide is sourced from PubChem (CID 17195121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).