4-[3-[[(2-aminoacetyl)-methylamino]methyl]phenyl]-N-[[2-(dimethylamino)phenyl]methyl]benzamide

C26H30N4O2 — CID 70584009

IUPAC4-[3-[[(2-aminoacetyl)-methylamino]methyl]phenyl]-N-[[2-(dimethylamino)phenyl]methyl]benzamide
SMILESCN(Cc1cccc(-c2ccc(C(=O)NCc3ccccc3N(C)C)cc2)c1)C(=O)CN
InChIInChI=1S/C26H30N4O2/c1-29(2)24-10-5-4-8-23(24)17-28-26(32)21-13-11-20(12-14-21)22-9-6-7-19(15-22)18-30(3)25(31)16-27/h4-15H,16-18,27H2,1-3H3,(H,28,32)
InChIKeyUFVPLIOKUGYRHS-UHFFFAOYSA-N
MW430.55 g/mol
LogP3.27
Rot. Bonds8

About 4-[3-[[(2-aminoacetyl)-methylamino]methyl]phenyl]-N-[[2-(dimethylamino)phenyl]methyl]benzamide

4-[3-[[(2-aminoacetyl)-methylamino]methyl]phenyl]-N-[[2-(dimethylamino)phenyl]methyl]benzamide (PubChem CID 70584009) has the molecular formula C26H30N4O2 and a molecular weight of 430.55 g/mol. Its IUPAC name is 4-[3-[[(2-aminoacetyl)-methylamino]methyl]phenyl]-N-[[2-(dimethylamino)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-[3-[[(2-aminoacetyl)-methylamino]methyl]phenyl]-N-[[2-(dimethylamino)phenyl]methyl]benzamide
PubChem CID70584009
Molecular FormulaC26H30N4O2
Molecular Weight430.55 g/mol
Exact Mass430.24
IUPAC Name4-[3-[[(2-aminoacetyl)-methylamino]methyl]phenyl]-N-[[2-(dimethylamino)phenyl]methyl]benzamide
SMILESCN(Cc1cccc(-c2ccc(C(=O)NCc3ccccc3N(C)C)cc2)c1)C(=O)CN
InChIInChI=1S/C26H30N4O2/c1-29(2)24-10-5-4-8-23(24)17-28-26(32)21-13-11-20(12-14-21)22-9-6-7-19(15-22)18-30(3)25(31)16-27/h4-15H,16-18,27H2,1-3H3,(H,28,32)
InChIKeyUFVPLIOKUGYRHS-UHFFFAOYSA-N
XLogP3.27
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[[3-(4-benzoylphenyl)phenyl]methyl]-N-methylacetamide
CID 70572253
4-[3-[[(2-aminoacetyl)-methylamino]methyl]phenyl]-N-(2-piperidin-1-ylethyl)benzamide
CID 70583070
2-amino-N-[[3-(4-fluorophenyl)phenyl]methyl]-N-methylacetamide
CID 70572290
2-amino-N-[[3-[4-(dimethylamino)phenyl]phenyl]methyl]-N-methylacetamide;oxalic acid
CID 134137520
2-amino-N-methyl-N-[[3-[4-(6-phenylhexanoyl)phenyl]phenyl]methyl]acetamide
CID 161031506
3-amino-N-[[2-(dimethylamino)phenyl]methyl]benzamide
CID 110474429
2-amino-N-[[3-[4-(diethylaminomethyl)phenyl]phenyl]methyl]-N-methylacetamide;dihydrochloride
CID 134138777
2-amino-N-[[3-[4-(2-cyclopentylacetyl)phenyl]phenyl]methyl]-N-methylacetamide
CID 153179413
2-amino-N-[[3-[6-(dimethylamino)-3-pyridinyl]phenyl]methyl]-N-methylacetamide
CID 70572704
N-[4-[3-[[(2-aminoacetyl)-methylamino]methyl]phenyl]phenyl]-3-hydroxypropanamide
CID 70572054
N-[[2-(dimethylamino)phenyl]methyl]pyridine-4-carboxamide
CID 110471313
2-amino-N-[[3-[4-[4-(2-hydroxyethyl)piperidine-1-carbonyl]phenyl]phenyl]methyl]-N-methylacetamide
CID 70572134

Frequently Asked Questions

What is the IUPAC name of 4-[3-[[(2-aminoacetyl)-methylamino]methyl]phenyl]-N-[[2-(dimethylamino)phenyl]methyl]benzamide?
The IUPAC name of 4-[3-[[(2-aminoacetyl)-methylamino]methyl]phenyl]-N-[[2-(dimethylamino)phenyl]methyl]benzamide (CID 70584009) is 4-[3-[[(2-aminoacetyl)-methylamino]methyl]phenyl]-N-[[2-(dimethylamino)phenyl]methyl]benzamide.
What is the SMILES notation for 4-[3-[[(2-aminoacetyl)-methylamino]methyl]phenyl]-N-[[2-(dimethylamino)phenyl]methyl]benzamide?
The canonical SMILES for 4-[3-[[(2-aminoacetyl)-methylamino]methyl]phenyl]-N-[[2-(dimethylamino)phenyl]methyl]benzamide is CN(Cc1cccc(-c2ccc(C(=O)NCc3ccccc3N(C)C)cc2)c1)C(=O)CN.
What is the InChIKey of 4-[3-[[(2-aminoacetyl)-methylamino]methyl]phenyl]-N-[[2-(dimethylamino)phenyl]methyl]benzamide?
The InChIKey is UFVPLIOKUGYRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O2/c1-29(2)24-10-5-4-8-23(24)17-28-26(32)21-13-11-20(12-14-21)22-9-6-7-19(15-22)18-30(3)25(31)16-27/h4-15H,16-18,27H2,1-3H3,(H,28,32).
What are the key properties of 4-[3-[[(2-aminoacetyl)-methylamino]methyl]phenyl]-N-[[2-(dimethylamino)phenyl]methyl]benzamide?
4-[3-[[(2-aminoacetyl)-methylamino]methyl]phenyl]-N-[[2-(dimethylamino)phenyl]methyl]benzamide has a molecular weight of 430.55 g/mol, XLogP of 3.27, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[[(2-aminoacetyl)-methylamino]methyl]phenyl]-N-[[2-(dimethylamino)phenyl]methyl]benzamide is sourced from PubChem (CID 70584009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).