N-[2,5-dimethoxy-4-[[2-(2-methylindol-1-yl)acetyl]amino]phenyl]benzamide

C26H25N3O4 — CID 26705081

IUPACN-[2,5-dimethoxy-4-[[2-(2-methylindol-1-yl)acetyl]amino]phenyl]benzamide
SMILESCOc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)Cn1c(C)cc2ccccc21
InChIInChI=1S/C26H25N3O4/c1-17-13-19-11-7-8-12-22(19)29(17)16-25(30)27-20-14-24(33-3)21(15-23(20)32-2)28-26(31)18-9-5-4-6-10-18/h4-15H,16H2,1-3H3,(H,27,30)(H,28,31)
InChIKeyKPCAMPDJJNUJFQ-UHFFFAOYSA-N
MW443.50 g/mol
LogP4.86
Rot. Bonds7

About N-[2,5-dimethoxy-4-[[2-(2-methylindol-1-yl)acetyl]amino]phenyl]benzamide

N-[2,5-dimethoxy-4-[[2-(2-methylindol-1-yl)acetyl]amino]phenyl]benzamide (PubChem CID 26705081) has the molecular formula C26H25N3O4 and a molecular weight of 443.50 g/mol. Its IUPAC name is N-[2,5-dimethoxy-4-[[2-(2-methylindol-1-yl)acetyl]amino]phenyl]benzamide.

Molecular Properties

Compound NameN-[2,5-dimethoxy-4-[[2-(2-methylindol-1-yl)acetyl]amino]phenyl]benzamide
PubChem CID26705081
Molecular FormulaC26H25N3O4
Molecular Weight443.50 g/mol
Exact Mass443.18
IUPAC NameN-[2,5-dimethoxy-4-[[2-(2-methylindol-1-yl)acetyl]amino]phenyl]benzamide
SMILESCOc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)Cn1c(C)cc2ccccc21
InChIInChI=1S/C26H25N3O4/c1-17-13-19-11-7-8-12-22(19)29(17)16-25(30)27-20-14-24(33-3)21(15-23(20)32-2)28-26(31)18-9-5-4-6-10-18/h4-15H,16H2,1-3H3,(H,27,30)(H,28,31)
InChIKeyKPCAMPDJJNUJFQ-UHFFFAOYSA-N
XLogP4.86
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-acetamido-2-methoxyphenyl)-2-(2-methylindol-1-yl)acetamide
CID 17419691
4,5-dimethoxy-N,N-dimethyl-2-[[2-(2-methylindol-1-yl)acetyl]amino]benzamide
CID 32513243
N-(4-benzamido-2,5-dimethoxyphenyl)benzamide
CID 1053126
N-[4-[[2-(cyclopropylmethylamino)acetyl]amino]-2,5-dimethoxyphenyl]benzamide;hydrochloride
CID 119679319
N-[4-(3,3-dimethylbutanoylamino)-2,5-dimethoxyphenyl]benzamide
CID 40521638
N-[2,5-dimethoxy-4-[[2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetyl]amino]phenyl]benzamide
CID 41187985
N-[2-(2,5-dimethoxy-4-methylanilino)-2-oxoethyl]benzamide
CID 110792956
N-[2,5-dimethoxy-4-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]phenyl]benzamide
CID 9374401
ethyl 4-(4-benzamido-2,5-dimethoxyanilino)-4-oxobutanoate
CID 9087779
N-(4-chloro-2-methylphenyl)-2-(2-methylindol-1-yl)acetamide
CID 4150176
N-[2-(4-benzamido-2,5-dimethoxyanilino)-2-oxoethyl]-3-chlorobenzamide
CID 24635188
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-(2-methylindol-1-yl)acetamide
CID 47014489

Frequently Asked Questions

What is the IUPAC name of N-[2,5-dimethoxy-4-[[2-(2-methylindol-1-yl)acetyl]amino]phenyl]benzamide?
The IUPAC name of N-[2,5-dimethoxy-4-[[2-(2-methylindol-1-yl)acetyl]amino]phenyl]benzamide (CID 26705081) is N-[2,5-dimethoxy-4-[[2-(2-methylindol-1-yl)acetyl]amino]phenyl]benzamide.
What is the SMILES notation for N-[2,5-dimethoxy-4-[[2-(2-methylindol-1-yl)acetyl]amino]phenyl]benzamide?
The canonical SMILES for N-[2,5-dimethoxy-4-[[2-(2-methylindol-1-yl)acetyl]amino]phenyl]benzamide is COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)Cn1c(C)cc2ccccc21.
What is the InChIKey of N-[2,5-dimethoxy-4-[[2-(2-methylindol-1-yl)acetyl]amino]phenyl]benzamide?
The InChIKey is KPCAMPDJJNUJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O4/c1-17-13-19-11-7-8-12-22(19)29(17)16-25(30)27-20-14-24(33-3)21(15-23(20)32-2)28-26(31)18-9-5-4-6-10-18/h4-15H,16H2,1-3H3,(H,27,30)(H,28,31).
What are the key properties of N-[2,5-dimethoxy-4-[[2-(2-methylindol-1-yl)acetyl]amino]phenyl]benzamide?
N-[2,5-dimethoxy-4-[[2-(2-methylindol-1-yl)acetyl]amino]phenyl]benzamide has a molecular weight of 443.50 g/mol, XLogP of 4.86, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,5-dimethoxy-4-[[2-(2-methylindol-1-yl)acetyl]amino]phenyl]benzamide is sourced from PubChem (CID 26705081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).