N-(3-amino-4-methoxyphenyl)-4-tert-butylbenzamide

C18H22N2O2 — CID 18524942

IUPACN-(3-amino-4-methoxyphenyl)-4-tert-butylbenzamide
SMILESCOc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1N
InChIInChI=1S/C18H22N2O2/c1-18(2,3)13-7-5-12(6-8-13)17(21)20-14-9-10-16(22-4)15(19)11-14/h5-11H,19H2,1-4H3,(H,20,21)
InChIKeyDHRRWAZRFLUCFX-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.83
Rot. Bonds3

About N-(3-amino-4-methoxyphenyl)-4-tert-butylbenzamide

N-(3-amino-4-methoxyphenyl)-4-tert-butylbenzamide (PubChem CID 18524942) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-(3-amino-4-methoxyphenyl)-4-tert-butylbenzamide.

Molecular Properties

Compound NameN-(3-amino-4-methoxyphenyl)-4-tert-butylbenzamide
PubChem CID18524942
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-(3-amino-4-methoxyphenyl)-4-tert-butylbenzamide
SMILESCOc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1N
InChIInChI=1S/C18H22N2O2/c1-18(2,3)13-7-5-12(6-8-13)17(21)20-14-9-10-16(22-4)15(19)11-14/h5-11H,19H2,1-4H3,(H,20,21)
InChIKeyDHRRWAZRFLUCFX-UHFFFAOYSA-N
XLogP3.83
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-4-methoxyphenyl)-4-hydroxybenzamide
CID 43599919
N-(3-amino-4-methoxyphenyl)-4-ethylbenzamide
CID 43599944
N-(3-amino-4-methoxyphenyl)benzamide;molecular nitrogen
CID 174994775
N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3,4-dimethoxybenzamide
CID 15994045
1-N,3-N-bis(4-tert-butylphenyl)-4-methoxybenzene-1,3-dicarboxamide
CID 71761515
N-(3-amino-4-methoxyphenyl)-3,5-dibromobenzamide
CID 107971090
N-(3-amino-4-methoxyphenyl)-2-(4-tert-butylphenoxy)acetamide
CID 50878680
(3-amino-4-methoxyphenyl)-(4-tert-butylphenyl)methanone
CID 39383239
N-(3-amino-4-methoxyphenyl)-3,4,5-trifluorobenzamide
CID 63186712
N-(3-amino-4-methoxyphenyl)-5-hydroxypyridine-3-carboxamide
CID 63851714
3-amino-N-(4-chloro-3-methoxyphenyl)-4-methoxybenzamide
CID 107620662
N-(3-amino-4-methoxyphenyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide
CID 119419317

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methoxyphenyl)-4-tert-butylbenzamide?
The IUPAC name of N-(3-amino-4-methoxyphenyl)-4-tert-butylbenzamide (CID 18524942) is N-(3-amino-4-methoxyphenyl)-4-tert-butylbenzamide.
What is the SMILES notation for N-(3-amino-4-methoxyphenyl)-4-tert-butylbenzamide?
The canonical SMILES for N-(3-amino-4-methoxyphenyl)-4-tert-butylbenzamide is COc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1N.
What is the InChIKey of N-(3-amino-4-methoxyphenyl)-4-tert-butylbenzamide?
The InChIKey is DHRRWAZRFLUCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-18(2,3)13-7-5-12(6-8-13)17(21)20-14-9-10-16(22-4)15(19)11-14/h5-11H,19H2,1-4H3,(H,20,21).
What are the key properties of N-(3-amino-4-methoxyphenyl)-4-tert-butylbenzamide?
N-(3-amino-4-methoxyphenyl)-4-tert-butylbenzamide has a molecular weight of 298.39 g/mol, XLogP of 3.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methoxyphenyl)-4-tert-butylbenzamide is sourced from PubChem (CID 18524942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).