3,4,5-trimethoxy-N-(4-methoxyphenyl)-N-[(E)-3-phenylprop-2-enyl]benzamide

C26H27NO5 — CID 42696233

IUPAC3,4,5-trimethoxy-N-(4-methoxyphenyl)-N-[(E)-3-phenylprop-2-enyl]benzamide
SMILESCOc1ccc(N(C/C=C/c2ccccc2)C(=O)c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C26H27NO5/c1-29-22-14-12-21(13-15-22)27(16-8-11-19-9-6-5-7-10-19)26(28)20-17-23(30-2)25(32-4)24(18-20)31-3/h5-15,17-18H,16H2,1-4H3/b11-8+
InChIKeyHKSZAMQTYLJHNQ-DHZHZOJOSA-N
MW433.50 g/mol
LogP5.08
Rot. Bonds9

About 3,4,5-trimethoxy-N-(4-methoxyphenyl)-N-[(E)-3-phenylprop-2-enyl]benzamide

3,4,5-trimethoxy-N-(4-methoxyphenyl)-N-[(E)-3-phenylprop-2-enyl]benzamide (PubChem CID 42696233) has the molecular formula C26H27NO5 and a molecular weight of 433.50 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-(4-methoxyphenyl)-N-[(E)-3-phenylprop-2-enyl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-(4-methoxyphenyl)-N-[(E)-3-phenylprop-2-enyl]benzamide
PubChem CID42696233
Molecular FormulaC26H27NO5
Molecular Weight433.50 g/mol
Exact Mass433.19
IUPAC Name3,4,5-trimethoxy-N-(4-methoxyphenyl)-N-[(E)-3-phenylprop-2-enyl]benzamide
SMILESCOc1ccc(N(C/C=C/c2ccccc2)C(=O)c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C26H27NO5/c1-29-22-14-12-21(13-15-22)27(16-8-11-19-9-6-5-7-10-19)26(28)20-17-23(30-2)25(32-4)24(18-20)31-3/h5-15,17-18H,16H2,1-4H3/b11-8+
InChIKeyHKSZAMQTYLJHNQ-DHZHZOJOSA-N
XLogP5.08
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.50
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Trocimine
CID 26650
Piperazine, 1,4-bis(3,4,5-trimethoxybenzoyl)-
CID 120984
(4-(2-Methoxyphenyl)-1-piperazinyl)(3,4,5-trimethoxyphenyl)methanone
CID 28757
3,4,5-Trimethoxybenzanilide
CID 305103
N-[[[3-[(Benzoyl)amino]phenyl]amino](thioxo)methyl]-3,4,5-trimethoxybenzamide
CID 1139102
2-Methyl-1,4-bis(3,4,5-trimethoxybenzoyl)piperazine
CID 460553
2-Methyl-1-(3,4,5-trimethoxybenzoyl)-1,2,3,4-tetrahydroquinoline
CID 2929726
1-(3-Phenylprop-2-enyl)-4-(3,4,5-trimethoxybenzoyl)piperazine
CID 1048988
p-Benzotoluidide, 3,4,5-trimethoxy-
CID 12924
3,4,5-Trimethoxy-N-(2-methoxyphenyl)benzamide
CID 199280
4'-Dimethylamino-3,4,5-trimethoxy benzanilide
CID 43380
N-(9H-Fluoren-2-YL)-3,4,5-trimethoxybenzamide
CID 1273134

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-(4-methoxyphenyl)-N-[(E)-3-phenylprop-2-enyl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-(4-methoxyphenyl)-N-[(E)-3-phenylprop-2-enyl]benzamide (CID 42696233) is 3,4,5-trimethoxy-N-(4-methoxyphenyl)-N-[(E)-3-phenylprop-2-enyl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-(4-methoxyphenyl)-N-[(E)-3-phenylprop-2-enyl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-(4-methoxyphenyl)-N-[(E)-3-phenylprop-2-enyl]benzamide is COc1ccc(N(C/C=C/c2ccccc2)C(=O)c2cc(OC)c(OC)c(OC)c2)cc1.
What is the InChIKey of 3,4,5-trimethoxy-N-(4-methoxyphenyl)-N-[(E)-3-phenylprop-2-enyl]benzamide?
The InChIKey is HKSZAMQTYLJHNQ-DHZHZOJOSA-N. The full InChI is InChI=1S/C26H27NO5/c1-29-22-14-12-21(13-15-22)27(16-8-11-19-9-6-5-7-10-19)26(28)20-17-23(30-2)25(32-4)24(18-20)31-3/h5-15,17-18H,16H2,1-4H3/b11-8+.
What are the key properties of 3,4,5-trimethoxy-N-(4-methoxyphenyl)-N-[(E)-3-phenylprop-2-enyl]benzamide?
3,4,5-trimethoxy-N-(4-methoxyphenyl)-N-[(E)-3-phenylprop-2-enyl]benzamide has a molecular weight of 433.50 g/mol, XLogP of 5.08, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-(4-methoxyphenyl)-N-[(E)-3-phenylprop-2-enyl]benzamide is sourced from PubChem (CID 42696233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).