N,3-bis(2,5-dimethoxyphenyl)prop-2-enamide

C19H21NO5 — CID 732464

IUPACN,3-bis(2,5-dimethoxyphenyl)prop-2-enamide
SMILESCOc1ccc(OC)c(C=CC(=O)Nc2cc(OC)ccc2OC)c1
InChIInChI=1S/C19H21NO5/c1-22-14-6-8-17(24-3)13(11-14)5-10-19(21)20-16-12-15(23-2)7-9-18(16)25-4/h5-12H,1-4H3,(H,20,21)
InChIKeyGYLVCPBXGATLCT-UHFFFAOYSA-N
MW343.38 g/mol
LogP3.37
Rot. Bonds7

About N,3-bis(2,5-dimethoxyphenyl)prop-2-enamide

N,3-bis(2,5-dimethoxyphenyl)prop-2-enamide (PubChem CID 732464) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is N,3-bis(2,5-dimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN,3-bis(2,5-dimethoxyphenyl)prop-2-enamide
PubChem CID732464
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC NameN,3-bis(2,5-dimethoxyphenyl)prop-2-enamide
SMILESCOc1ccc(OC)c(C=CC(=O)Nc2cc(OC)ccc2OC)c1
InChIInChI=1S/C19H21NO5/c1-22-14-6-8-17(24-3)13(11-14)5-10-19(21)20-16-12-15(23-2)7-9-18(16)25-4/h5-12H,1-4H3,(H,20,21)
InChIKeyGYLVCPBXGATLCT-UHFFFAOYSA-N
XLogP3.37
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(4,5-dimethoxy-2-methylphenyl)-3-(2,5-dimethoxyphenyl)prop-2-enamide
CID 7751129
(E)-N-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 875420
(E)-N-(2,5-dimethoxyphenyl)-3-(2-fluorophenyl)prop-2-enamide
CID 9098501
(E)-3-(2,5-dimethoxyphenyl)-N-(2-iodophenyl)prop-2-enamide
CID 2666320
(E)-N-(2-acetylphenyl)-3-(2,5-dimethoxyphenyl)prop-2-enamide
CID 8749582
(E)-N-(2,5-dibromophenyl)-3-(2,5-dimethoxyphenyl)prop-2-enamide
CID 39166862
3-[[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]amino]-4-hydroxybenzoic acid
CID 108753993
(E)-N-(5-chloro-2-methylphenyl)-3-(2,5-dimethoxyphenyl)prop-2-enamide
CID 682471
(E)-N-(2-chloro-4-methylphenyl)-3-(2,5-dimethoxyphenyl)prop-2-enamide
CID 7926708
(E)-3-(2,5-dimethoxyphenyl)-N-(3,5-dimethylphenyl)prop-2-enamide
CID 2683290
N-[(2,5-dimethoxyphenyl)carbamothioyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 3457464
(E)-3-(2,5-dimethoxyphenyl)-N-[4-(methylcarbamoylamino)phenyl]prop-2-enamide
CID 46518249

Frequently Asked Questions

What is the IUPAC name of N,3-bis(2,5-dimethoxyphenyl)prop-2-enamide?
The IUPAC name of N,3-bis(2,5-dimethoxyphenyl)prop-2-enamide (CID 732464) is N,3-bis(2,5-dimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for N,3-bis(2,5-dimethoxyphenyl)prop-2-enamide?
The canonical SMILES for N,3-bis(2,5-dimethoxyphenyl)prop-2-enamide is COc1ccc(OC)c(C=CC(=O)Nc2cc(OC)ccc2OC)c1.
What is the InChIKey of N,3-bis(2,5-dimethoxyphenyl)prop-2-enamide?
The InChIKey is GYLVCPBXGATLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5/c1-22-14-6-8-17(24-3)13(11-14)5-10-19(21)20-16-12-15(23-2)7-9-18(16)25-4/h5-12H,1-4H3,(H,20,21).
What are the key properties of N,3-bis(2,5-dimethoxyphenyl)prop-2-enamide?
N,3-bis(2,5-dimethoxyphenyl)prop-2-enamide has a molecular weight of 343.38 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-bis(2,5-dimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 732464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).