N-[2,5-dimethoxy-4-[3-(4-methylphenyl)prop-2-enoylamino]phenyl]benzamide

C25H24N2O4 — CID 4642816

IUPACN-[2,5-dimethoxy-4-[3-(4-methylphenyl)prop-2-enoylamino]phenyl]benzamide
SMILESCOc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)C=Cc1ccc(C)cc1
InChIInChI=1S/C25H24N2O4/c1-17-9-11-18(12-10-17)13-14-24(28)26-20-15-23(31-3)21(16-22(20)30-2)27-25(29)19-7-5-4-6-8-19/h4-16H,1-3H3,(H,26,28)(H,27,29)
InChIKeyMPSQUGWXVNOPQL-UHFFFAOYSA-N
MW416.48 g/mol
LogP4.92
Rot. Bonds7

About N-[2,5-dimethoxy-4-[3-(4-methylphenyl)prop-2-enoylamino]phenyl]benzamide

N-[2,5-dimethoxy-4-[3-(4-methylphenyl)prop-2-enoylamino]phenyl]benzamide (PubChem CID 4642816) has the molecular formula C25H24N2O4 and a molecular weight of 416.48 g/mol. Its IUPAC name is N-[2,5-dimethoxy-4-[3-(4-methylphenyl)prop-2-enoylamino]phenyl]benzamide.

Molecular Properties

Compound NameN-[2,5-dimethoxy-4-[3-(4-methylphenyl)prop-2-enoylamino]phenyl]benzamide
PubChem CID4642816
Molecular FormulaC25H24N2O4
Molecular Weight416.48 g/mol
Exact Mass416.17
IUPAC NameN-[2,5-dimethoxy-4-[3-(4-methylphenyl)prop-2-enoylamino]phenyl]benzamide
SMILESCOc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)C=Cc1ccc(C)cc1
InChIInChI=1S/C25H24N2O4/c1-17-9-11-18(12-10-17)13-14-24(28)26-20-15-23(31-3)21(16-22(20)30-2)27-25(29)19-7-5-4-6-8-19/h4-16H,1-3H3,(H,26,28)(H,27,29)
InChIKeyMPSQUGWXVNOPQL-UHFFFAOYSA-N
XLogP4.92
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 54.92
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

N-[2,5-dimethoxy-4-[3-(3,4,5-trimethoxyphenyl)prop-2-enoylamino]phenyl]benzamide
CID 2915510
N-[4-[3-(4-ethoxyphenyl)prop-2-enoylamino]-2,5-dimethoxyphenyl]benzamide
CID 4642812
N-[2,5-diethoxy-4-[3-(4-methoxyphenyl)prop-2-enoylamino]phenyl]benzamide
CID 4642597
N-(4-benzamido-2,5-dimethoxyphenyl)benzamide
CID 1053126
N-[2,5-diethoxy-4-[[(E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]amino]phenyl]benzamide
CID 19185153
N-[2-methoxy-4-[3-methoxy-4-[3-(4-methylphenyl)prop-2-enoylamino]phenyl]phenyl]-3-(4-methylphenyl)prop-2-enamide
CID 4200270
N-[4-[[(E)-3-(4-butoxy-3-ethoxyphenyl)prop-2-enoyl]amino]-2,5-dimethoxyphenyl]benzamide
CID 19236857
N-[4-[[(E)-3-(3,5-dimethoxyphenyl)prop-2-enoyl]amino]-2,5-diethoxyphenyl]benzamide
CID 46554620
methyl 4-[3-(2-methoxy-5-methylanilino)-3-oxoprop-1-enyl]benzoate
CID 3402722
(E)-N-(2,5-dimethoxy-4-phenylsulfanylphenyl)-3-phenylprop-2-enamide
CID 110179822
N-[4-(fluoroamino)-2,5-dimethoxyphenyl]benzamide
CID 142075014
(E)-3-(4-acetamidophenyl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 31252704

Frequently Asked Questions

What is the IUPAC name of N-[2,5-dimethoxy-4-[3-(4-methylphenyl)prop-2-enoylamino]phenyl]benzamide?
The IUPAC name of N-[2,5-dimethoxy-4-[3-(4-methylphenyl)prop-2-enoylamino]phenyl]benzamide (CID 4642816) is N-[2,5-dimethoxy-4-[3-(4-methylphenyl)prop-2-enoylamino]phenyl]benzamide.
What is the SMILES notation for N-[2,5-dimethoxy-4-[3-(4-methylphenyl)prop-2-enoylamino]phenyl]benzamide?
The canonical SMILES for N-[2,5-dimethoxy-4-[3-(4-methylphenyl)prop-2-enoylamino]phenyl]benzamide is COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)C=Cc1ccc(C)cc1.
What is the InChIKey of N-[2,5-dimethoxy-4-[3-(4-methylphenyl)prop-2-enoylamino]phenyl]benzamide?
The InChIKey is MPSQUGWXVNOPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O4/c1-17-9-11-18(12-10-17)13-14-24(28)26-20-15-23(31-3)21(16-22(20)30-2)27-25(29)19-7-5-4-6-8-19/h4-16H,1-3H3,(H,26,28)(H,27,29).
What are the key properties of N-[2,5-dimethoxy-4-[3-(4-methylphenyl)prop-2-enoylamino]phenyl]benzamide?
N-[2,5-dimethoxy-4-[3-(4-methylphenyl)prop-2-enoylamino]phenyl]benzamide has a molecular weight of 416.48 g/mol, XLogP of 4.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,5-dimethoxy-4-[3-(4-methylphenyl)prop-2-enoylamino]phenyl]benzamide is sourced from PubChem (CID 4642816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).