2-(methylamino)-N-[4-[(E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoyl]phenyl]benzamide

C26H26N2O5 — CID 171390877

IUPAC2-(methylamino)-N-[4-[(E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoyl]phenyl]benzamide
SMILESCNc1ccccc1C(=O)Nc1ccc(C(=O)/C=C/c2cc(OC)c(OC)cc2OC)cc1
InChIInChI=1S/C26H26N2O5/c1-27-21-8-6-5-7-20(21)26(30)28-19-12-9-17(10-13-19)22(29)14-11-18-15-24(32-3)25(33-4)16-23(18)31-2/h5-16,27H,1-4H3,(H,28,30)/b14-11+
InChIKeyFUEXKFULZAXKOG-SDNWHVSQSA-N
MW446.50 g/mol
LogP4.90
Rot. Bonds9

About 2-(methylamino)-N-[4-[(E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoyl]phenyl]benzamide

2-(methylamino)-N-[4-[(E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoyl]phenyl]benzamide (PubChem CID 171390877) has the molecular formula C26H26N2O5 and a molecular weight of 446.50 g/mol. Its IUPAC name is 2-(methylamino)-N-[4-[(E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoyl]phenyl]benzamide.

Molecular Properties

Compound Name2-(methylamino)-N-[4-[(E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoyl]phenyl]benzamide
PubChem CID171390877
Molecular FormulaC26H26N2O5
Molecular Weight446.50 g/mol
Exact Mass446.18
IUPAC Name2-(methylamino)-N-[4-[(E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoyl]phenyl]benzamide
SMILESCNc1ccccc1C(=O)Nc1ccc(C(=O)/C=C/c2cc(OC)c(OC)cc2OC)cc1
InChIInChI=1S/C26H26N2O5/c1-27-21-8-6-5-7-20(21)26(30)28-19-12-9-17(10-13-19)22(29)14-11-18-15-24(32-3)25(33-4)16-23(18)31-2/h5-16,27H,1-4H3,(H,28,30)/b14-11+
InChIKeyFUEXKFULZAXKOG-SDNWHVSQSA-N
XLogP4.90
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.50
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(E)-3-(4-bromophenyl)prop-2-enoyl]phenyl]-2-(methylamino)benzamide
CID 171390806
N-(4-chloro-3-methoxyphenyl)-2-(methylamino)benzamide
CID 107622226
N-[4-[3-(2-methoxyphenyl)prop-2-enoyl]phenyl]acetamide
CID 4143798
(E)-N-phenyl-3-(2,4,5-trimethoxyphenyl)prop-2-enamide
CID 8713738
N-[(Z)-3-[4-[(E)-3-(2-methylphenyl)prop-2-enoyl]anilino]-3-oxo-1-(2,4,5-trimethoxyphenyl)prop-1-en-2-yl]benzamide
CID 23094641
2-[[(E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoyl]amino]benzamide
CID 6967475
N-[(Z)-3-[4-[(E)-3-(2-chlorophenyl)prop-2-enoyl]anilino]-3-oxo-1-(2,4,5-trimethoxyphenyl)prop-1-en-2-yl]benzamide
CID 23094614
(E)-N-[4-(phenylcarbamoylamino)phenyl]-3-(2,4,5-trimethoxyphenyl)prop-2-enamide
CID 30779967
3,4-dimethoxy-N-[2-[[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide
CID 6886720
(E)-N-(2-chlorophenyl)-3-(2,4,5-trimethoxyphenyl)prop-2-enamide
CID 9411298
2,4,5-trimethoxy-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 4793592
N-(3,4-dimethoxyphenyl)-2-[(4-methylbenzoyl)amino]benzamide
CID 110602599

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[4-[(E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoyl]phenyl]benzamide?
The IUPAC name of 2-(methylamino)-N-[4-[(E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoyl]phenyl]benzamide (CID 171390877) is 2-(methylamino)-N-[4-[(E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoyl]phenyl]benzamide.
What is the SMILES notation for 2-(methylamino)-N-[4-[(E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoyl]phenyl]benzamide?
The canonical SMILES for 2-(methylamino)-N-[4-[(E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoyl]phenyl]benzamide is CNc1ccccc1C(=O)Nc1ccc(C(=O)/C=C/c2cc(OC)c(OC)cc2OC)cc1.
What is the InChIKey of 2-(methylamino)-N-[4-[(E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoyl]phenyl]benzamide?
The InChIKey is FUEXKFULZAXKOG-SDNWHVSQSA-N. The full InChI is InChI=1S/C26H26N2O5/c1-27-21-8-6-5-7-20(21)26(30)28-19-12-9-17(10-13-19)22(29)14-11-18-15-24(32-3)25(33-4)16-23(18)31-2/h5-16,27H,1-4H3,(H,28,30)/b14-11+.
What are the key properties of 2-(methylamino)-N-[4-[(E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoyl]phenyl]benzamide?
2-(methylamino)-N-[4-[(E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoyl]phenyl]benzamide has a molecular weight of 446.50 g/mol, XLogP of 4.90, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[4-[(E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoyl]phenyl]benzamide is sourced from PubChem (CID 171390877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).