2,2,3-trimethyl-3-[4-(naphthalen-2-ylamino)phenyl]butanamide

C23H26N2O — CID 90026443

IUPAC2,2,3-trimethyl-3-[4-(naphthalen-2-ylamino)phenyl]butanamide
SMILESCC(C)(C(N)=O)C(C)(C)c1ccc(Nc2ccc3ccccc3c2)cc1
InChIInChI=1S/C23H26N2O/c1-22(2,23(3,4)21(24)26)18-10-13-19(14-11-18)25-20-12-9-16-7-5-6-8-17(16)15-20/h5-15,25H,1-4H3,(H2,24,26)
InChIKeyAXIGYSNAMOZCTK-UHFFFAOYSA-N
MW346.47 g/mol
LogP5.37
Rot. Bonds5

About 2,2,3-trimethyl-3-[4-(naphthalen-2-ylamino)phenyl]butanamide

2,2,3-trimethyl-3-[4-(naphthalen-2-ylamino)phenyl]butanamide (PubChem CID 90026443) has the molecular formula C23H26N2O and a molecular weight of 346.47 g/mol. Its IUPAC name is 2,2,3-trimethyl-3-[4-(naphthalen-2-ylamino)phenyl]butanamide.

Molecular Properties

Compound Name2,2,3-trimethyl-3-[4-(naphthalen-2-ylamino)phenyl]butanamide
PubChem CID90026443
Molecular FormulaC23H26N2O
Molecular Weight346.47 g/mol
Exact Mass346.20
IUPAC Name2,2,3-trimethyl-3-[4-(naphthalen-2-ylamino)phenyl]butanamide
SMILESCC(C)(C(N)=O)C(C)(C)c1ccc(Nc2ccc3ccccc3c2)cc1
InChIInChI=1S/C23H26N2O/c1-22(2,23(3,4)21(24)26)18-10-13-19(14-11-18)25-20-12-9-16-7-5-6-8-17(16)15-20/h5-15,25H,1-4H3,(H2,24,26)
InChIKeyAXIGYSNAMOZCTK-UHFFFAOYSA-N
XLogP5.37
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.47
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 7142
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2-fluoro-2-naphthalen-2-ylpropanamide
CID 91088349
2-(naphthalen-2-ylamino)benzamide
CID 70089831
2-N,6-N-diphenylnaphthalene-2,6-diamine
CID 12541294
N-pentacen-2-ylpentacen-2-amine
CID 91227915
2-methyl-2-(naphthalen-2-ylamino)propanoic acid
CID 69497419
4-(naphthalen-2-ylamino)-2-phenylbenzamide
CID 164543764
4-N,4-N-dimethyl-1-N-naphthalen-2-ylbenzene-1,4-diamine
CID 82536280
4-[2-(4-anilinophenoxy)pent-3-yn-2-yl]-N-phenylaniline;N-[4-[2-[4-(naphthalen-2-ylamino)phenoxy]pent-3-yn-2-yl]phenyl]naphthalen-2-amine
CID 91389615
N-anthracen-2-yl-2,2-dimethylpropanamide
CID 19044653
methyl (2R)-2-amino-2-naphthalen-2-ylpropanoate
CID 90757177

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-3-[4-(naphthalen-2-ylamino)phenyl]butanamide?
The IUPAC name of 2,2,3-trimethyl-3-[4-(naphthalen-2-ylamino)phenyl]butanamide (CID 90026443) is 2,2,3-trimethyl-3-[4-(naphthalen-2-ylamino)phenyl]butanamide.
What is the SMILES notation for 2,2,3-trimethyl-3-[4-(naphthalen-2-ylamino)phenyl]butanamide?
The canonical SMILES for 2,2,3-trimethyl-3-[4-(naphthalen-2-ylamino)phenyl]butanamide is CC(C)(C(N)=O)C(C)(C)c1ccc(Nc2ccc3ccccc3c2)cc1.
What is the InChIKey of 2,2,3-trimethyl-3-[4-(naphthalen-2-ylamino)phenyl]butanamide?
The InChIKey is AXIGYSNAMOZCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O/c1-22(2,23(3,4)21(24)26)18-10-13-19(14-11-18)25-20-12-9-16-7-5-6-8-17(16)15-20/h5-15,25H,1-4H3,(H2,24,26).
What are the key properties of 2,2,3-trimethyl-3-[4-(naphthalen-2-ylamino)phenyl]butanamide?
2,2,3-trimethyl-3-[4-(naphthalen-2-ylamino)phenyl]butanamide has a molecular weight of 346.47 g/mol, XLogP of 5.37, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-3-[4-(naphthalen-2-ylamino)phenyl]butanamide is sourced from PubChem (CID 90026443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).