5-amino-N-[(4-tert-butylphenyl)methyl]naphthalene-1-carboxamide

C22H24N2O — CID 69058380

IUPAC5-amino-N-[(4-tert-butylphenyl)methyl]naphthalene-1-carboxamide
SMILESCC(C)(C)c1ccc(CNC(=O)c2cccc3c(N)cccc23)cc1
InChIInChI=1S/C22H24N2O/c1-22(2,3)16-12-10-15(11-13-16)14-24-21(25)19-8-4-7-18-17(19)6-5-9-20(18)23/h4-13H,14,23H2,1-3H3,(H,24,25)
InChIKeyAYYVUCMHBBQIAB-UHFFFAOYSA-N
MW332.45 g/mol
LogP4.65
Rot. Bonds3

About 5-amino-N-[(4-tert-butylphenyl)methyl]naphthalene-1-carboxamide

5-amino-N-[(4-tert-butylphenyl)methyl]naphthalene-1-carboxamide (PubChem CID 69058380) has the molecular formula C22H24N2O and a molecular weight of 332.45 g/mol. Its IUPAC name is 5-amino-N-[(4-tert-butylphenyl)methyl]naphthalene-1-carboxamide.

Molecular Properties

Compound Name5-amino-N-[(4-tert-butylphenyl)methyl]naphthalene-1-carboxamide
PubChem CID69058380
Molecular FormulaC22H24N2O
Molecular Weight332.45 g/mol
Exact Mass332.19
IUPAC Name5-amino-N-[(4-tert-butylphenyl)methyl]naphthalene-1-carboxamide
SMILESCC(C)(C)c1ccc(CNC(=O)c2cccc3c(N)cccc23)cc1
InChIInChI=1S/C22H24N2O/c1-22(2,3)16-12-10-15(11-13-16)14-24-21(25)19-8-4-7-18-17(19)6-5-9-20(18)23/h4-13H,14,23H2,1-3H3,(H,24,25)
InChIKeyAYYVUCMHBBQIAB-UHFFFAOYSA-N
XLogP4.65
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-tert-butylphenyl)methyl]-5-nitronaphthalene-1-carboxamide
CID 69058832
2-amino-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 60699275
5-amino-N-[(4-tert-butylphenyl)methyl]naphthalene-1-sulfonamide
CID 69050845
2-amino-N-[(4-chlorophenyl)methyl]benzamide
CID 7312564
N-[(4-tert-butylphenyl)methyl]-2-hydroxyacetamide
CID 69343221
N-[(4-tert-butylphenyl)methyl]-4-methylbenzamide
CID 97423443
4-tert-butyl-N-[(4-hydroxyphenyl)methyl]benzamide
CID 115577854
N-[[4-(methylsulfonylmethyl)phenyl]methyl]naphthalene-1-carboxamide
CID 60535333
3-amino-N-(2,2-dimethylbutyl)-2-ethoxybenzamide
CID 103459929
3-[(4-tert-butylphenyl)methylamino]-3-oxopropanoic acid
CID 115163373
N-[[4-(hydroxycarbamoyl)phenyl]methyl]naphthalene-1-carboxamide
CID 10125717
N-[(4-aminophenyl)methyl]-2-hydroxy-3-methylbenzamide
CID 60891251

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(4-tert-butylphenyl)methyl]naphthalene-1-carboxamide?
The IUPAC name of 5-amino-N-[(4-tert-butylphenyl)methyl]naphthalene-1-carboxamide (CID 69058380) is 5-amino-N-[(4-tert-butylphenyl)methyl]naphthalene-1-carboxamide.
What is the SMILES notation for 5-amino-N-[(4-tert-butylphenyl)methyl]naphthalene-1-carboxamide?
The canonical SMILES for 5-amino-N-[(4-tert-butylphenyl)methyl]naphthalene-1-carboxamide is CC(C)(C)c1ccc(CNC(=O)c2cccc3c(N)cccc23)cc1.
What is the InChIKey of 5-amino-N-[(4-tert-butylphenyl)methyl]naphthalene-1-carboxamide?
The InChIKey is AYYVUCMHBBQIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O/c1-22(2,3)16-12-10-15(11-13-16)14-24-21(25)19-8-4-7-18-17(19)6-5-9-20(18)23/h4-13H,14,23H2,1-3H3,(H,24,25).
What are the key properties of 5-amino-N-[(4-tert-butylphenyl)methyl]naphthalene-1-carboxamide?
5-amino-N-[(4-tert-butylphenyl)methyl]naphthalene-1-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 4.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(4-tert-butylphenyl)methyl]naphthalene-1-carboxamide is sourced from PubChem (CID 69058380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).