3-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]-2-methylbenzamide

C19H20N2O4 — CID 34585271

IUPAC3-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]-2-methylbenzamide
SMILESCOc1ccc(/C=C/C(=O)Nc2cccc(C(N)=O)c2C)cc1OC
InChIInChI=1S/C19H20N2O4/c1-12-14(19(20)23)5-4-6-15(12)21-18(22)10-8-13-7-9-16(24-2)17(11-13)25-3/h4-11H,1-3H3,(H2,20,23)(H,21,22)/b10-8+
InChIKeyKQHLZTZRWVPWID-CSKARUKUSA-N
MW340.38 g/mol
LogP2.76
Rot. Bonds6

About 3-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]-2-methylbenzamide

3-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]-2-methylbenzamide (PubChem CID 34585271) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 3-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]-2-methylbenzamide.

Molecular Properties

Compound Name3-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]-2-methylbenzamide
PubChem CID34585271
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name3-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]-2-methylbenzamide
SMILESCOc1ccc(/C=C/C(=O)Nc2cccc(C(N)=O)c2C)cc1OC
InChIInChI=1S/C19H20N2O4/c1-12-14(19(20)23)5-4-6-15(12)21-18(22)10-8-13-7-9-16(24-2)17(11-13)25-3/h4-11H,1-3H3,(H2,20,23)(H,21,22)/b10-8+
InChIKeyKQHLZTZRWVPWID-CSKARUKUSA-N
XLogP2.76
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]benzoate
CID 1219697
2-[3-(3,4-dimethoxyphenyl)prop-2-enoylamino]-N-(3-methylphenyl)benzamide
CID 76859483
2-[3-[3-methoxy-4-(3-methylbutoxy)phenyl]prop-2-enoylamino]benzamide
CID 4682883
N-(2-bromophenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 3270628
(E)-N-(3-acetamido-2-methylphenyl)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enamide
CID 24673568
2-[3-(3-fluoro-4-methoxyphenyl)prop-2-enoylamino]-6-methylbenzamide
CID 103597998
2-chloro-6-[3-(3,4-dimethoxyphenyl)prop-2-enoylamino]benzoic acid
CID 77378923
2-[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]-4,5-dimethoxybenzamide
CID 60602066
N-(2-acetylphenyl)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide
CID 75981698
4,5-dimethoxy-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide
CID 71741197
methyl 2-[[(Z)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioylamino]benzoate
CID 93095175
(E)-3-(3,4-dimethoxyphenyl)-N-[2-(piperidine-1-carbonyl)phenyl]prop-2-enamide
CID 6234232

Frequently Asked Questions

What is the IUPAC name of 3-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]-2-methylbenzamide?
The IUPAC name of 3-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]-2-methylbenzamide (CID 34585271) is 3-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]-2-methylbenzamide.
What is the SMILES notation for 3-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]-2-methylbenzamide?
The canonical SMILES for 3-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]-2-methylbenzamide is COc1ccc(/C=C/C(=O)Nc2cccc(C(N)=O)c2C)cc1OC.
What is the InChIKey of 3-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]-2-methylbenzamide?
The InChIKey is KQHLZTZRWVPWID-CSKARUKUSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-12-14(19(20)23)5-4-6-15(12)21-18(22)10-8-13-7-9-16(24-2)17(11-13)25-3/h4-11H,1-3H3,(H2,20,23)(H,21,22)/b10-8+.
What are the key properties of 3-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]-2-methylbenzamide?
3-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]-2-methylbenzamide has a molecular weight of 340.38 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]-2-methylbenzamide is sourced from PubChem (CID 34585271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).