N-(3-amino-4-methoxyphenyl)-3-(2,4,6-trimethoxyphenyl)prop-2-enamide

C19H22N2O5 — CID 68957635

IUPACN-(3-amino-4-methoxyphenyl)-3-(2,4,6-trimethoxyphenyl)prop-2-enamide
SMILESCOc1cc(OC)c(C=CC(=O)Nc2ccc(OC)c(N)c2)c(OC)c1
InChIInChI=1S/C19H22N2O5/c1-23-13-10-17(25-3)14(18(11-13)26-4)6-8-19(22)21-12-5-7-16(24-2)15(20)9-12/h5-11H,20H2,1-4H3,(H,21,22)
InChIKeyOLPBOUJDNOJLKD-UHFFFAOYSA-N
MW358.39 g/mol
LogP2.96
Rot. Bonds7

About N-(3-amino-4-methoxyphenyl)-3-(2,4,6-trimethoxyphenyl)prop-2-enamide

N-(3-amino-4-methoxyphenyl)-3-(2,4,6-trimethoxyphenyl)prop-2-enamide (PubChem CID 68957635) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is N-(3-amino-4-methoxyphenyl)-3-(2,4,6-trimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(3-amino-4-methoxyphenyl)-3-(2,4,6-trimethoxyphenyl)prop-2-enamide
PubChem CID68957635
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC NameN-(3-amino-4-methoxyphenyl)-3-(2,4,6-trimethoxyphenyl)prop-2-enamide
SMILESCOc1cc(OC)c(C=CC(=O)Nc2ccc(OC)c(N)c2)c(OC)c1
InChIInChI=1S/C19H22N2O5/c1-23-13-10-17(25-3)14(18(11-13)26-4)6-8-19(22)21-12-5-7-16(24-2)15(20)9-12/h5-11H,20H2,1-4H3,(H,21,22)
InChIKeyOLPBOUJDNOJLKD-UHFFFAOYSA-N
XLogP2.96
TPSA92.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-4-methoxyphenyl)but-2-enamide
CID 74885559
3,5-diamino-N-[2-methoxy-5-[3-(2,4,6-trimethoxyphenyl)prop-2-enoylamino]phenyl]benzamide
CID 68955710
[2-methoxy-5-[3-(2,4,6-trimethoxyphenyl)prop-2-enoylamino]phenyl] dihydrogen phosphate
CID 67102938
N-(3-amino-4-methoxyphenyl)-3-phenylprop-2-enamide
CID 74572950
2-[2-methoxy-5-[[(E)-3-(2,4,6-trimethoxyphenyl)prop-2-enoyl]amino]phenoxy]acetic acid
CID 67103294
[2-methoxy-5-[[(E)-3-(2,4,6-trimethoxyphenyl)prop-2-enoyl]amino]phenyl] 2-hydroxyacetate
CID 67102694
4-amino-2-[2-methoxy-5-[[(E)-3-(2,4,6-trimethoxyphenyl)prop-2-enoyl]amino]phenyl]benzoic acid
CID 87270218
4-amino-2-[2-methoxy-5-[3-(2,4,6-trimethoxyphenyl)prop-2-enoylamino]phenyl]benzoic acid
CID 67103365
(E)-N-[4-methoxy-3-(trifluoromethylsulfonylamino)phenyl]-3-(2,4,6-trimethoxyphenyl)prop-2-enamide
CID 10345448
2-hydroxy-2-[2-methoxy-5-[[(E)-3-(2,4,6-trimethoxyphenyl)prop-2-enoyl]amino]phenyl]propanoic acid
CID 87270050
2-hydroxy-2-[2-methoxy-5-[3-(2,4,6-trimethoxyphenyl)prop-2-enoylamino]phenyl]propanoic acid
CID 67103062
3-[2-methoxy-5-[[(E)-3-(2,4,6-trimethoxyphenyl)prop-2-enoyl]amino]phenoxy]-3-oxopropanoic acid
CID 11419427

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methoxyphenyl)-3-(2,4,6-trimethoxyphenyl)prop-2-enamide?
The IUPAC name of N-(3-amino-4-methoxyphenyl)-3-(2,4,6-trimethoxyphenyl)prop-2-enamide (CID 68957635) is N-(3-amino-4-methoxyphenyl)-3-(2,4,6-trimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for N-(3-amino-4-methoxyphenyl)-3-(2,4,6-trimethoxyphenyl)prop-2-enamide?
The canonical SMILES for N-(3-amino-4-methoxyphenyl)-3-(2,4,6-trimethoxyphenyl)prop-2-enamide is COc1cc(OC)c(C=CC(=O)Nc2ccc(OC)c(N)c2)c(OC)c1.
What is the InChIKey of N-(3-amino-4-methoxyphenyl)-3-(2,4,6-trimethoxyphenyl)prop-2-enamide?
The InChIKey is OLPBOUJDNOJLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5/c1-23-13-10-17(25-3)14(18(11-13)26-4)6-8-19(22)21-12-5-7-16(24-2)15(20)9-12/h5-11H,20H2,1-4H3,(H,21,22).
What are the key properties of N-(3-amino-4-methoxyphenyl)-3-(2,4,6-trimethoxyphenyl)prop-2-enamide?
N-(3-amino-4-methoxyphenyl)-3-(2,4,6-trimethoxyphenyl)prop-2-enamide has a molecular weight of 358.39 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methoxyphenyl)-3-(2,4,6-trimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 68957635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).