N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-2,3-dimethoxybenzamide

C20H25N3O4 — CID 55797093

IUPACN-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)NCc2cccc(NC(=O)CN(C)C)c2)c1OC
InChIInChI=1S/C20H25N3O4/c1-23(2)13-18(24)22-15-8-5-7-14(11-15)12-21-20(25)16-9-6-10-17(26-3)19(16)27-4/h5-11H,12-13H2,1-4H3,(H,21,25)(H,22,24)
InChIKeyNUJGDGVMXKUCFH-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.13
Rot. Bonds8

About N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-2,3-dimethoxybenzamide

N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-2,3-dimethoxybenzamide (PubChem CID 55797093) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-2,3-dimethoxybenzamide.

Molecular Properties

Compound NameN-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-2,3-dimethoxybenzamide
PubChem CID55797093
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC NameN-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)NCc2cccc(NC(=O)CN(C)C)c2)c1OC
InChIInChI=1S/C20H25N3O4/c1-23(2)13-18(24)22-15-8-5-7-14(11-15)12-21-20(25)16-9-6-10-17(26-3)19(16)27-4/h5-11H,12-13H2,1-4H3,(H,21,25)(H,22,24)
InChIKeyNUJGDGVMXKUCFH-UHFFFAOYSA-N
XLogP2.13
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-bromophenyl)methoxy]-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]benzamide
CID 55797280
N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
CID 55797062
methyl N-[4-[[(2,3-dimethoxybenzoyl)amino]methyl]phenyl]carbamate
CID 47057996
2-(dimethylamino)-N-[3-[[[N-[(3-methoxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]phenyl]acetamide;hydroiodide
CID 111249856
N-[4-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methylamino]-4-oxobutyl]-2,4-difluorobenzamide
CID 55800405
2-(3,4-dimethoxyphenyl)-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55797374
N-[(4-chlorophenyl)methyl]-2,3-dimethoxybenzamide
CID 912340
2,3-dimethoxy-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]benzamide
CID 100531207
2-(dimethylamino)-N-[3-[[[C-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methylcarbonimidoyl]amino]methyl]phenyl]acetamide;hydroiodide
CID 111133546
2-(2-methoxyanilino)-N-[[3-(3-methylbutanoylamino)phenyl]methyl]pyridine-3-carboxamide
CID 146096764
methyl 3-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methylcarbamoyl]-5-nitrobenzoate
CID 55797250
2-chloro-N-[1-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55797348

Frequently Asked Questions

What is the IUPAC name of N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-2,3-dimethoxybenzamide?
The IUPAC name of N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-2,3-dimethoxybenzamide (CID 55797093) is N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-2,3-dimethoxybenzamide.
What is the SMILES notation for N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-2,3-dimethoxybenzamide?
The canonical SMILES for N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-2,3-dimethoxybenzamide is COc1cccc(C(=O)NCc2cccc(NC(=O)CN(C)C)c2)c1OC.
What is the InChIKey of N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-2,3-dimethoxybenzamide?
The InChIKey is NUJGDGVMXKUCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-23(2)13-18(24)22-15-8-5-7-14(11-15)12-21-20(25)16-9-6-10-17(26-3)19(16)27-4/h5-11H,12-13H2,1-4H3,(H,21,25)(H,22,24).
What are the key properties of N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-2,3-dimethoxybenzamide?
N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-2,3-dimethoxybenzamide has a molecular weight of 371.44 g/mol, XLogP of 2.13, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-2,3-dimethoxybenzamide is sourced from PubChem (CID 55797093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).