N-(4-tert-butylphenyl)-2-(methylamino)benzamide

C18H22N2O — CID 60706403

IUPACN-(4-tert-butylphenyl)-2-(methylamino)benzamide
SMILESCNc1ccccc1C(=O)Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H22N2O/c1-18(2,3)13-9-11-14(12-10-13)20-17(21)15-7-5-6-8-16(15)19-4/h5-12,19H,1-4H3,(H,20,21)
InChIKeyUSAXZCDRPODDJS-UHFFFAOYSA-N
MW282.39 g/mol
LogP4.28
Rot. Bonds3

About N-(4-tert-butylphenyl)-2-(methylamino)benzamide

N-(4-tert-butylphenyl)-2-(methylamino)benzamide (PubChem CID 60706403) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2-(methylamino)benzamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-2-(methylamino)benzamide
PubChem CID60706403
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-(4-tert-butylphenyl)-2-(methylamino)benzamide
SMILESCNc1ccccc1C(=O)Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H22N2O/c1-18(2,3)13-9-11-14(12-10-13)20-17(21)15-7-5-6-8-16(15)19-4/h5-12,19H,1-4H3,(H,20,21)
InChIKeyUSAXZCDRPODDJS-UHFFFAOYSA-N
XLogP4.28
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(4-tert-butylphenyl)-2-(methylamino)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N,2-N,3-N-tris(4-tert-butylphenyl)benzene-1,2,3-tricarboxamide
CID 70017205
1-N,4-N-bis(4-tert-butylphenyl)naphthalene-1,4-dicarboxamide
CID 67816317
N-(4-tert-butylphenyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 23151044
2-(2-acetylanilino)-N-(4-tert-butylphenyl)acetamide
CID 9103726
2-[[2-(methylamino)benzoyl]amino]benzoic acid
CID 12819847
4-[[2-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoyl]amino]benzoic acid
CID 1230927
N-(3,4-dicyanophenyl)-2-(methylamino)benzamide
CID 107791441
4-[(2-acetamidobenzoyl)amino]benzoic acid
CID 3729274
2-(methylamino)-N-(1,2-oxazol-4-yl)benzamide
CID 62913787
N-(4-tert-butylphenyl)-N'-(2-hydroxyphenyl)oxamide
CID 108514330
N-(4-tert-butylphenyl)-4-phenylbenzamide
CID 7914209
N-(1-ethyl-6-oxo-3-pyridinyl)-2-(methylamino)benzamide
CID 61378041

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-2-(methylamino)benzamide?
The IUPAC name of N-(4-tert-butylphenyl)-2-(methylamino)benzamide (CID 60706403) is N-(4-tert-butylphenyl)-2-(methylamino)benzamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-2-(methylamino)benzamide?
The canonical SMILES for N-(4-tert-butylphenyl)-2-(methylamino)benzamide is CNc1ccccc1C(=O)Nc1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-2-(methylamino)benzamide?
The InChIKey is USAXZCDRPODDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-18(2,3)13-9-11-14(12-10-13)20-17(21)15-7-5-6-8-16(15)19-4/h5-12,19H,1-4H3,(H,20,21).
What are the key properties of N-(4-tert-butylphenyl)-2-(methylamino)benzamide?
N-(4-tert-butylphenyl)-2-(methylamino)benzamide has a molecular weight of 282.39 g/mol, XLogP of 4.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-2-(methylamino)benzamide is sourced from PubChem (CID 60706403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).