N-(2-aminophenyl)-4-[[(3-methylphenyl)methyl-prop-2-ynylamino]methyl]benzamide

C25H25N3O — CID 175193741

IUPACN-(2-aminophenyl)-4-[[(3-methylphenyl)methyl-prop-2-ynylamino]methyl]benzamide
SMILESC#CCN(Cc1ccc(C(=O)Nc2ccccc2N)cc1)Cc1cccc(C)c1
InChIInChI=1S/C25H25N3O/c1-3-15-28(18-21-8-6-7-19(2)16-21)17-20-11-13-22(14-12-20)25(29)27-24-10-5-4-9-23(24)26/h1,4-14,16H,15,17-18,26H2,2H3,(H,27,29)
InChIKeyCQDRZMJNBGYZTF-UHFFFAOYSA-N
MW383.50 g/mol
LogP4.46
Rot. Bonds7

About N-(2-aminophenyl)-4-[[(3-methylphenyl)methyl-prop-2-ynylamino]methyl]benzamide

N-(2-aminophenyl)-4-[[(3-methylphenyl)methyl-prop-2-ynylamino]methyl]benzamide (PubChem CID 175193741) has the molecular formula C25H25N3O and a molecular weight of 383.50 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[[(3-methylphenyl)methyl-prop-2-ynylamino]methyl]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[[(3-methylphenyl)methyl-prop-2-ynylamino]methyl]benzamide
PubChem CID175193741
Molecular FormulaC25H25N3O
Molecular Weight383.50 g/mol
Exact Mass383.20
IUPAC NameN-(2-aminophenyl)-4-[[(3-methylphenyl)methyl-prop-2-ynylamino]methyl]benzamide
SMILESC#CCN(Cc1ccc(C(=O)Nc2ccccc2N)cc1)Cc1cccc(C)c1
InChIInChI=1S/C25H25N3O/c1-3-15-28(18-21-8-6-7-19(2)16-21)17-20-11-13-22(14-12-20)25(29)27-24-10-5-4-9-23(24)26/h1,4-14,16H,15,17-18,26H2,2H3,(H,27,29)
InChIKeyCQDRZMJNBGYZTF-UHFFFAOYSA-N
XLogP4.46
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminophenyl)-4-[(3,5-dimethylanilino)methyl]benzamide
CID 22478639
4-[(N-acetylanilino)methyl]-N-(2-aminophenyl)benzamide
CID 11417056
N-(2-aminophenyl)-4-[[2-hydroxyethyl(pyridin-3-ylmethyl)amino]methyl]benzamide
CID 11494562
N-(2-aminophenyl)-4-hydroxybenzamide;ethane
CID 145225833
N-(2-aminophenyl)-4-(3-ethylphenyl)benzamide
CID 20786059
N-(2-aminophenyl)-4-(2,2-dimethylpropyl)benzamide
CID 58916411
1-N-(2-aminophenyl)-4-N-benzyl-4-N-(2-hydroxyethyl)benzene-1,4-dicarboxamide
CID 25052283
methyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-N-(6-methyl-2-pyridinyl)carbamate
CID 68847526
4-N-(2-methylphenyl)-1-N-[(3-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046884
N-(2-aminophenyl)-3-fluoro-5-methylbenzamide
CID 112701162
N-(2-aminophenyl)-4-[[(2-phenylacetyl)amino]methyl]benzamide
CID 11348920
4-[[(2,6-dichlorophenyl)methyl-prop-2-ynylamino]methyl]-N-hydroxybenzamide
CID 175205773

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[[(3-methylphenyl)methyl-prop-2-ynylamino]methyl]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[[(3-methylphenyl)methyl-prop-2-ynylamino]methyl]benzamide (CID 175193741) is N-(2-aminophenyl)-4-[[(3-methylphenyl)methyl-prop-2-ynylamino]methyl]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[[(3-methylphenyl)methyl-prop-2-ynylamino]methyl]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[[(3-methylphenyl)methyl-prop-2-ynylamino]methyl]benzamide is C#CCN(Cc1ccc(C(=O)Nc2ccccc2N)cc1)Cc1cccc(C)c1.
What is the InChIKey of N-(2-aminophenyl)-4-[[(3-methylphenyl)methyl-prop-2-ynylamino]methyl]benzamide?
The InChIKey is CQDRZMJNBGYZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O/c1-3-15-28(18-21-8-6-7-19(2)16-21)17-20-11-13-22(14-12-20)25(29)27-24-10-5-4-9-23(24)26/h1,4-14,16H,15,17-18,26H2,2H3,(H,27,29).
What are the key properties of N-(2-aminophenyl)-4-[[(3-methylphenyl)methyl-prop-2-ynylamino]methyl]benzamide?
N-(2-aminophenyl)-4-[[(3-methylphenyl)methyl-prop-2-ynylamino]methyl]benzamide has a molecular weight of 383.50 g/mol, XLogP of 4.46, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[[(3-methylphenyl)methyl-prop-2-ynylamino]methyl]benzamide is sourced from PubChem (CID 175193741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).