3-[[acetyl(methyl)amino]methyl]-4-amino-N-methyl-N-[(3-methyl-1H-indol-2-yl)methyl]benzamide

C22H26N4O2 — CID 70145463

IUPAC3-[[acetyl(methyl)amino]methyl]-4-amino-N-methyl-N-[(3-methyl-1H-indol-2-yl)methyl]benzamide
SMILESCC(=O)N(C)Cc1cc(C(=O)N(C)Cc2[nH]c3ccccc3c2C)ccc1N
InChIInChI=1S/C22H26N4O2/c1-14-18-7-5-6-8-20(18)24-21(14)13-26(4)22(28)16-9-10-19(23)17(11-16)12-25(3)15(2)27/h5-11,24H,12-13,23H2,1-4H3
InChIKeyHXVLIIQBSFHOOX-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.31
Rot. Bonds5

About 3-[[acetyl(methyl)amino]methyl]-4-amino-N-methyl-N-[(3-methyl-1H-indol-2-yl)methyl]benzamide

3-[[acetyl(methyl)amino]methyl]-4-amino-N-methyl-N-[(3-methyl-1H-indol-2-yl)methyl]benzamide (PubChem CID 70145463) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 3-[[acetyl(methyl)amino]methyl]-4-amino-N-methyl-N-[(3-methyl-1H-indol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3-[[acetyl(methyl)amino]methyl]-4-amino-N-methyl-N-[(3-methyl-1H-indol-2-yl)methyl]benzamide
PubChem CID70145463
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name3-[[acetyl(methyl)amino]methyl]-4-amino-N-methyl-N-[(3-methyl-1H-indol-2-yl)methyl]benzamide
SMILESCC(=O)N(C)Cc1cc(C(=O)N(C)Cc2[nH]c3ccccc3c2C)ccc1N
InChIInChI=1S/C22H26N4O2/c1-14-18-7-5-6-8-20(18)24-21(14)13-26(4)22(28)16-9-10-19(23)17(11-16)12-25(3)15(2)27/h5-11,24H,12-13,23H2,1-4H3
InChIKeyHXVLIIQBSFHOOX-UHFFFAOYSA-N
XLogP3.31
TPSA82.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N,1,3-trimethyl-N-[(3-methyl-1H-indol-2-yl)methyl]-2,6-dioxopyrimidine-4-carboxamide
CID 72838254
N,2,3-trimethyl-N-[(2-methylphenyl)methyl]-1H-indole-5-carboxamide
CID 34909087
N,N-dimethyl-1-(3-methyl-1H-indol-2-yl)methanamine
CID 119082195
N-methyl-2-(methylamino)-N-[(3-methyl-1H-indol-2-yl)methyl]pyridine-3-carboxamide
CID 56756856
3-amino-N-[(2-hydroxyphenyl)methyl]-N,4-dimethylbenzamide
CID 60963333
4-amino-3-methoxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 104782446
N-[(2-aminophenyl)methyl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
CID 43458378
3-amino-N-[(2-chlorophenyl)methyl]-N,4-dimethylbenzamide
CID 60937650
3-amino-4-bromo-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 61094065
N-[(2-aminophenyl)methyl]-4-iodo-N-methylbenzamide
CID 43458354
N-methyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 942796
N-(1H-indol-3-ylmethyl)-3,4-dimethoxy-N-methylbenzamide
CID 110733002

Frequently Asked Questions

What is the IUPAC name of 3-[[acetyl(methyl)amino]methyl]-4-amino-N-methyl-N-[(3-methyl-1H-indol-2-yl)methyl]benzamide?
The IUPAC name of 3-[[acetyl(methyl)amino]methyl]-4-amino-N-methyl-N-[(3-methyl-1H-indol-2-yl)methyl]benzamide (CID 70145463) is 3-[[acetyl(methyl)amino]methyl]-4-amino-N-methyl-N-[(3-methyl-1H-indol-2-yl)methyl]benzamide.
What is the SMILES notation for 3-[[acetyl(methyl)amino]methyl]-4-amino-N-methyl-N-[(3-methyl-1H-indol-2-yl)methyl]benzamide?
The canonical SMILES for 3-[[acetyl(methyl)amino]methyl]-4-amino-N-methyl-N-[(3-methyl-1H-indol-2-yl)methyl]benzamide is CC(=O)N(C)Cc1cc(C(=O)N(C)Cc2[nH]c3ccccc3c2C)ccc1N.
What is the InChIKey of 3-[[acetyl(methyl)amino]methyl]-4-amino-N-methyl-N-[(3-methyl-1H-indol-2-yl)methyl]benzamide?
The InChIKey is HXVLIIQBSFHOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-14-18-7-5-6-8-20(18)24-21(14)13-26(4)22(28)16-9-10-19(23)17(11-16)12-25(3)15(2)27/h5-11,24H,12-13,23H2,1-4H3.
What are the key properties of 3-[[acetyl(methyl)amino]methyl]-4-amino-N-methyl-N-[(3-methyl-1H-indol-2-yl)methyl]benzamide?
3-[[acetyl(methyl)amino]methyl]-4-amino-N-methyl-N-[(3-methyl-1H-indol-2-yl)methyl]benzamide has a molecular weight of 378.48 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[acetyl(methyl)amino]methyl]-4-amino-N-methyl-N-[(3-methyl-1H-indol-2-yl)methyl]benzamide is sourced from PubChem (CID 70145463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).