(E)-N-[2-[[acetyl(methyl)amino]methyl]phenyl]-3-(4-propoxyphenyl)prop-2-enamide

C22H26N2O3 — CID 55778336

IUPAC(E)-N-[2-[[acetyl(methyl)amino]methyl]phenyl]-3-(4-propoxyphenyl)prop-2-enamide
SMILESCCCOc1ccc(/C=C/C(=O)Nc2ccccc2CN(C)C(C)=O)cc1
InChIInChI=1S/C22H26N2O3/c1-4-15-27-20-12-9-18(10-13-20)11-14-22(26)23-21-8-6-5-7-19(21)16-24(3)17(2)25/h5-14H,4,15-16H2,1-3H3,(H,23,26)/b14-11+
InChIKeyITVXESXZFPBYAX-SDNWHVSQSA-N
MW366.46 g/mol
LogP4.11
Rot. Bonds8

About (E)-N-[2-[[acetyl(methyl)amino]methyl]phenyl]-3-(4-propoxyphenyl)prop-2-enamide

(E)-N-[2-[[acetyl(methyl)amino]methyl]phenyl]-3-(4-propoxyphenyl)prop-2-enamide (PubChem CID 55778336) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is (E)-N-[2-[[acetyl(methyl)amino]methyl]phenyl]-3-(4-propoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-[[acetyl(methyl)amino]methyl]phenyl]-3-(4-propoxyphenyl)prop-2-enamide
PubChem CID55778336
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name(E)-N-[2-[[acetyl(methyl)amino]methyl]phenyl]-3-(4-propoxyphenyl)prop-2-enamide
SMILESCCCOc1ccc(/C=C/C(=O)Nc2ccccc2CN(C)C(C)=O)cc1
InChIInChI=1S/C22H26N2O3/c1-4-15-27-20-12-9-18(10-13-20)11-14-22(26)23-21-8-6-5-7-19(21)16-24(3)17(2)25/h5-14H,4,15-16H2,1-3H3,(H,23,26)/b14-11+
InChIKeyITVXESXZFPBYAX-SDNWHVSQSA-N
XLogP4.11
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 54.11
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)-N-(2-iodophenyl)-3-(4-propoxyphenyl)prop-2-enamide
CID 55771428
(E)-4-[2-[[acetyl(methyl)amino]methyl]anilino]-4-oxobut-2-enoic acid
CID 60941940
3-(4-butoxyphenyl)-N-(2-chlorophenyl)prop-2-enamide
CID 2792142
N-[2,5-diethoxy-4-[[(E)-3-(4-propoxyphenyl)prop-2-enoyl]amino]phenyl]benzamide
CID 19181852
(E)-3-[4-(difluoromethoxy)phenyl]-N-(2-ethylphenyl)prop-2-enamide
CID 7923768
N-(4-fluorophenyl)-3-(4-propoxyphenyl)prop-2-enamide
CID 2791684
3-(4-fluorophenyl)-N-(4-propoxyphenyl)prop-2-enamide
CID 4943064
(E)-3-(4-chlorophenyl)-N-(4-propoxyphenyl)prop-2-enamide
CID 17195487
(E)-N-(2-chlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 805515
(E)-3-(4-ethoxyphenyl)-N-naphthalen-1-ylprop-2-enamide
CID 804776
N-tert-butyl-3-(4-propoxyphenyl)prop-2-enamide
CID 2791771
N-(3-methoxyphenyl)-3-(4-propoxyphenyl)prop-2-enamide
CID 2791655

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-[[acetyl(methyl)amino]methyl]phenyl]-3-(4-propoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[2-[[acetyl(methyl)amino]methyl]phenyl]-3-(4-propoxyphenyl)prop-2-enamide (CID 55778336) is (E)-N-[2-[[acetyl(methyl)amino]methyl]phenyl]-3-(4-propoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[2-[[acetyl(methyl)amino]methyl]phenyl]-3-(4-propoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[2-[[acetyl(methyl)amino]methyl]phenyl]-3-(4-propoxyphenyl)prop-2-enamide is CCCOc1ccc(/C=C/C(=O)Nc2ccccc2CN(C)C(C)=O)cc1.
What is the InChIKey of (E)-N-[2-[[acetyl(methyl)amino]methyl]phenyl]-3-(4-propoxyphenyl)prop-2-enamide?
The InChIKey is ITVXESXZFPBYAX-SDNWHVSQSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-4-15-27-20-12-9-18(10-13-20)11-14-22(26)23-21-8-6-5-7-19(21)16-24(3)17(2)25/h5-14H,4,15-16H2,1-3H3,(H,23,26)/b14-11+.
What are the key properties of (E)-N-[2-[[acetyl(methyl)amino]methyl]phenyl]-3-(4-propoxyphenyl)prop-2-enamide?
(E)-N-[2-[[acetyl(methyl)amino]methyl]phenyl]-3-(4-propoxyphenyl)prop-2-enamide has a molecular weight of 366.46 g/mol, XLogP of 4.11, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-[[acetyl(methyl)amino]methyl]phenyl]-3-(4-propoxyphenyl)prop-2-enamide is sourced from PubChem (CID 55778336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).