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

C26H28N2O8 — CID 4578304

IUPAC3,4,5-trimethoxy-N-[3-[(3,4,5-trimethoxybenzoyl)amino]phenyl]benzamide
SMILESCOc1cc(C(=O)Nc2cccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)c2)cc(OC)c1OC
InChIInChI=1S/C26H28N2O8/c1-31-19-10-15(11-20(32-2)23(19)35-5)25(29)27-17-8-7-9-18(14-17)28-26(30)16-12-21(33-3)24(36-6)22(13-16)34-4/h7-14H,1-6H3,(H,27,29)(H,28,30)
InChIKeyBKRWTXFJEFCZMF-UHFFFAOYSA-N
MW496.52 g/mol
LogP4.24
Rot. Bonds10

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

3,4,5-trimethoxy-N-[3-[(3,4,5-trimethoxybenzoyl)amino]phenyl]benzamide (PubChem CID 4578304) has the molecular formula C26H28N2O8 and a molecular weight of 496.52 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[3-[(3,4,5-trimethoxybenzoyl)amino]phenyl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[3-[(3,4,5-trimethoxybenzoyl)amino]phenyl]benzamide
PubChem CID4578304
Molecular FormulaC26H28N2O8
Molecular Weight496.52 g/mol
Exact Mass496.18
IUPAC Name3,4,5-trimethoxy-N-[3-[(3,4,5-trimethoxybenzoyl)amino]phenyl]benzamide
SMILESCOc1cc(C(=O)Nc2cccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)c2)cc(OC)c1OC
InChIInChI=1S/C26H28N2O8/c1-31-19-10-15(11-20(32-2)23(19)35-5)25(29)27-17-8-7-9-18(14-17)28-26(30)16-12-21(33-3)24(36-6)22(13-16)34-4/h7-14H,1-6H3,(H,27,29)(H,28,30)
InChIKeyBKRWTXFJEFCZMF-UHFFFAOYSA-N
XLogP4.24
TPSA113.58 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.52
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-3,4,5-trimethoxybenzamide
CID 5167403
3,4,5-trimethoxy-N-(3-propan-2-yloxyphenyl)benzamide
CID 17154687
3,4,5-trimethoxy-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide
CID 17235540
3,4,5-trimethoxy-N-[[3-[(4-methylbenzoyl)amino]phenyl]carbamoyl]benzamide
CID 58506929
3,4,5-trimethoxy-N-[3-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]benzamide
CID 126231092
3-methyl-N-[3-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 126229364
3,4,5-trimethoxy-N-[4-(3-methylanilino)phenyl]benzamide
CID 112985955
4-chloro-N-[3-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 126231777
3-chloro-N-(3-iodophenyl)-4,5-dimethoxybenzamide
CID 3543943
N-[2-(3-acetamidoanilino)-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 27259117
N-(4-chlorophenyl)-3,4,5-trimethoxybenzamide
CID 692739
N-[3-[[(2R)-butan-2-yl]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide
CID 42427639

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[3-[(3,4,5-trimethoxybenzoyl)amino]phenyl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[3-[(3,4,5-trimethoxybenzoyl)amino]phenyl]benzamide (CID 4578304) is 3,4,5-trimethoxy-N-[3-[(3,4,5-trimethoxybenzoyl)amino]phenyl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[3-[(3,4,5-trimethoxybenzoyl)amino]phenyl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[3-[(3,4,5-trimethoxybenzoyl)amino]phenyl]benzamide is COc1cc(C(=O)Nc2cccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)c2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[3-[(3,4,5-trimethoxybenzoyl)amino]phenyl]benzamide?
The InChIKey is BKRWTXFJEFCZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O8/c1-31-19-10-15(11-20(32-2)23(19)35-5)25(29)27-17-8-7-9-18(14-17)28-26(30)16-12-21(33-3)24(36-6)22(13-16)34-4/h7-14H,1-6H3,(H,27,29)(H,28,30).
What are the key properties of 3,4,5-trimethoxy-N-[3-[(3,4,5-trimethoxybenzoyl)amino]phenyl]benzamide?
3,4,5-trimethoxy-N-[3-[(3,4,5-trimethoxybenzoyl)amino]phenyl]benzamide has a molecular weight of 496.52 g/mol, XLogP of 4.24, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[3-[(3,4,5-trimethoxybenzoyl)amino]phenyl]benzamide is sourced from PubChem (CID 4578304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).