2-methyl-3-[4-(2-methylpropanoylamino)naphthalen-2-yl]-N-naphthalen-2-ylpropanamide

C28H28N2O2 — CID 166890298

IUPAC2-methyl-3-[4-(2-methylpropanoylamino)naphthalen-2-yl]-N-naphthalen-2-ylpropanamide
SMILESCC(C)C(=O)Nc1cc(CC(C)C(=O)Nc2ccc3ccccc3c2)cc2ccccc12
InChIInChI=1S/C28H28N2O2/c1-18(2)27(31)30-26-16-20(15-23-10-6-7-11-25(23)26)14-19(3)28(32)29-24-13-12-21-8-4-5-9-22(21)17-24/h4-13,15-19H,14H2,1-3H3,(H,29,32)(H,30,31)
InChIKeyNTMFYIGOBKGTEV-UHFFFAOYSA-N
MW424.54 g/mol
LogP6.40
Rot. Bonds6

About 2-methyl-3-[4-(2-methylpropanoylamino)naphthalen-2-yl]-N-naphthalen-2-ylpropanamide

2-methyl-3-[4-(2-methylpropanoylamino)naphthalen-2-yl]-N-naphthalen-2-ylpropanamide (PubChem CID 166890298) has the molecular formula C28H28N2O2 and a molecular weight of 424.54 g/mol. Its IUPAC name is 2-methyl-3-[4-(2-methylpropanoylamino)naphthalen-2-yl]-N-naphthalen-2-ylpropanamide.

Molecular Properties

Compound Name2-methyl-3-[4-(2-methylpropanoylamino)naphthalen-2-yl]-N-naphthalen-2-ylpropanamide
PubChem CID166890298
Molecular FormulaC28H28N2O2
Molecular Weight424.54 g/mol
Exact Mass424.22
IUPAC Name2-methyl-3-[4-(2-methylpropanoylamino)naphthalen-2-yl]-N-naphthalen-2-ylpropanamide
SMILESCC(C)C(=O)Nc1cc(CC(C)C(=O)Nc2ccc3ccccc3c2)cc2ccccc12
InChIInChI=1S/C28H28N2O2/c1-18(2)27(31)30-26-16-20(15-23-10-6-7-11-25(23)26)14-19(3)28(32)29-24-13-12-21-8-4-5-9-22(21)17-24/h4-13,15-19H,14H2,1-3H3,(H,29,32)(H,30,31)
InChIKeyNTMFYIGOBKGTEV-UHFFFAOYSA-N
XLogP6.40
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.54
LogP ≤ 56.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2,4-dimethyl-N-naphthalen-2-ylpentanamide
CID 58642005
2-methyl-N-[4-methyl-3-(naphthalen-2-ylmethylamino)phenyl]propanamide
CID 112839413
N'-(2-ethylphenyl)-N-naphthalen-2-yloxamide
CID 108528326
2-(benzylamino)-N-naphthalen-2-ylpropanamide
CID 4870007
2-[4-[2-(methylamino)-2-oxoethyl]anilino]-N-naphthalen-2-ylpropanamide
CID 86924157
carbon dioxide;(2R,3R,6R)-2,3-dihydroxy-6-methyl-N-naphthalen-2-yl-4-oxo-7-phenylheptanamide
CID 91613183
(2S)-2-methyl-3-naphthalen-1-yl-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide
CID 100509369
(2R)-2-amino-3-methyl-N-naphthalen-2-ylbutanamide
CID 671224
2-amino-N-naphthalen-2-yl-3-phenylpropanamide
CID 577793
2-methyl-N-naphthalen-1-ylpentanamide
CID 112762783
N-(6-hydroxynaphthalen-1-yl)-2-methylpropanamide
CID 170421531
2-amino-4-methyl-N-naphthalen-2-ylpentanamide chloride
CID 5351894

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[4-(2-methylpropanoylamino)naphthalen-2-yl]-N-naphthalen-2-ylpropanamide?
The IUPAC name of 2-methyl-3-[4-(2-methylpropanoylamino)naphthalen-2-yl]-N-naphthalen-2-ylpropanamide (CID 166890298) is 2-methyl-3-[4-(2-methylpropanoylamino)naphthalen-2-yl]-N-naphthalen-2-ylpropanamide.
What is the SMILES notation for 2-methyl-3-[4-(2-methylpropanoylamino)naphthalen-2-yl]-N-naphthalen-2-ylpropanamide?
The canonical SMILES for 2-methyl-3-[4-(2-methylpropanoylamino)naphthalen-2-yl]-N-naphthalen-2-ylpropanamide is CC(C)C(=O)Nc1cc(CC(C)C(=O)Nc2ccc3ccccc3c2)cc2ccccc12.
What is the InChIKey of 2-methyl-3-[4-(2-methylpropanoylamino)naphthalen-2-yl]-N-naphthalen-2-ylpropanamide?
The InChIKey is NTMFYIGOBKGTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O2/c1-18(2)27(31)30-26-16-20(15-23-10-6-7-11-25(23)26)14-19(3)28(32)29-24-13-12-21-8-4-5-9-22(21)17-24/h4-13,15-19H,14H2,1-3H3,(H,29,32)(H,30,31).
What are the key properties of 2-methyl-3-[4-(2-methylpropanoylamino)naphthalen-2-yl]-N-naphthalen-2-ylpropanamide?
2-methyl-3-[4-(2-methylpropanoylamino)naphthalen-2-yl]-N-naphthalen-2-ylpropanamide has a molecular weight of 424.54 g/mol, XLogP of 6.40, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[4-(2-methylpropanoylamino)naphthalen-2-yl]-N-naphthalen-2-ylpropanamide is sourced from PubChem (CID 166890298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).