3,4,5-trimethoxy-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide

C24H24N2O5 — CID 17235540

IUPAC3,4,5-trimethoxy-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide
SMILESCOc1cc(C(=O)Nc2cccc(NC(=O)Cc3ccccc3)c2)cc(OC)c1OC
InChIInChI=1S/C24H24N2O5/c1-29-20-13-17(14-21(30-2)23(20)31-3)24(28)26-19-11-7-10-18(15-19)25-22(27)12-16-8-5-4-6-9-16/h4-11,13-15H,12H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyIOCDXEDAJSHXGF-UHFFFAOYSA-N
MW420.47 g/mol
LogP4.15
Rot. Bonds8

About 3,4,5-trimethoxy-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide

3,4,5-trimethoxy-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide (PubChem CID 17235540) has the molecular formula C24H24N2O5 and a molecular weight of 420.47 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide
PubChem CID17235540
Molecular FormulaC24H24N2O5
Molecular Weight420.47 g/mol
Exact Mass420.17
IUPAC Name3,4,5-trimethoxy-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide
SMILESCOc1cc(C(=O)Nc2cccc(NC(=O)Cc3ccccc3)c2)cc(OC)c1OC
InChIInChI=1S/C24H24N2O5/c1-29-20-13-17(14-21(30-2)23(20)31-3)24(28)26-19-11-7-10-18(15-19)25-22(27)12-16-8-5-4-6-9-16/h4-11,13-15H,12H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyIOCDXEDAJSHXGF-UHFFFAOYSA-N
XLogP4.15
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,4,5-trimethoxy-N-[3-[(3,4,5-trimethoxybenzoyl)amino]phenyl]benzamide
CID 4578304
2-[3-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]phenyl]acetic acid
CID 119351773
N-[3-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]phenyl]propanamide
CID 39991372
N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-3,4,5-trimethoxybenzamide
CID 5167403
N-(3-acetylphenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2406485
N-[2-(3-acetamidoanilino)-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 27259117
N-(3-chlorophenyl)-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 9243538
N-(3-acetamidophenyl)-4-[(2-phenylacetyl)amino]benzamide
CID 17119477
2,2-dimethyl-N-[3-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]phenyl]propanamide
CID 30671146
3,4,5-trimethoxy-N-[2-[3-[(2-methoxyacetyl)amino]anilino]-2-oxoethyl]benzamide
CID 30831168
3,4,5-trimethoxy-N-(3-propan-2-yloxyphenyl)benzamide
CID 17154687
N-(3-iodophenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 26517733

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide (CID 17235540) is 3,4,5-trimethoxy-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide is COc1cc(C(=O)Nc2cccc(NC(=O)Cc3ccccc3)c2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide?
The InChIKey is IOCDXEDAJSHXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O5/c1-29-20-13-17(14-21(30-2)23(20)31-3)24(28)26-19-11-7-10-18(15-19)25-22(27)12-16-8-5-4-6-9-16/h4-11,13-15H,12H2,1-3H3,(H,25,27)(H,26,28).
What are the key properties of 3,4,5-trimethoxy-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide?
3,4,5-trimethoxy-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide has a molecular weight of 420.47 g/mol, XLogP of 4.15, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide is sourced from PubChem (CID 17235540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).