2-[(2R)-butan-2-yl]-N,N-di(propan-2-yl)naphthalene-1-carboxamide

C21H29NO — CID 102067521

IUPAC2-[(2R)-butan-2-yl]-N,N-di(propan-2-yl)naphthalene-1-carboxamide
SMILESCC[C@@H](C)c1ccc2ccccc2c1C(=O)N(C(C)C)C(C)C
InChIInChI=1S/C21H29NO/c1-7-16(6)18-13-12-17-10-8-9-11-19(17)20(18)21(23)22(14(2)3)15(4)5/h8-16H,7H2,1-6H3/t16-/m1/s1
InChIKeyOKQZDOGSDAPQFG-MRXNPFEDSA-N
MW311.47 g/mol
LogP5.61
Rot. Bonds5

About 2-[(2R)-butan-2-yl]-N,N-di(propan-2-yl)naphthalene-1-carboxamide

2-[(2R)-butan-2-yl]-N,N-di(propan-2-yl)naphthalene-1-carboxamide (PubChem CID 102067521) has the molecular formula C21H29NO and a molecular weight of 311.47 g/mol. Its IUPAC name is 2-[(2R)-butan-2-yl]-N,N-di(propan-2-yl)naphthalene-1-carboxamide.

Molecular Properties

Compound Name2-[(2R)-butan-2-yl]-N,N-di(propan-2-yl)naphthalene-1-carboxamide
PubChem CID102067521
Molecular FormulaC21H29NO
Molecular Weight311.47 g/mol
Exact Mass311.22
IUPAC Name2-[(2R)-butan-2-yl]-N,N-di(propan-2-yl)naphthalene-1-carboxamide
SMILESCC[C@@H](C)c1ccc2ccccc2c1C(=O)N(C(C)C)C(C)C
InChIInChI=1S/C21H29NO/c1-7-16(6)18-13-12-17-10-8-9-11-19(17)20(18)21(23)22(14(2)3)15(4)5/h8-16H,7H2,1-6H3/t16-/m1/s1
InChIKeyOKQZDOGSDAPQFG-MRXNPFEDSA-N
XLogP5.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.47
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-butan-2-yl]-N,N-di(propan-2-yl)naphthalene-1-carboxamide?
The IUPAC name of 2-[(2R)-butan-2-yl]-N,N-di(propan-2-yl)naphthalene-1-carboxamide (CID 102067521) is 2-[(2R)-butan-2-yl]-N,N-di(propan-2-yl)naphthalene-1-carboxamide.
What is the SMILES notation for 2-[(2R)-butan-2-yl]-N,N-di(propan-2-yl)naphthalene-1-carboxamide?
The canonical SMILES for 2-[(2R)-butan-2-yl]-N,N-di(propan-2-yl)naphthalene-1-carboxamide is CC[C@@H](C)c1ccc2ccccc2c1C(=O)N(C(C)C)C(C)C.
What is the InChIKey of 2-[(2R)-butan-2-yl]-N,N-di(propan-2-yl)naphthalene-1-carboxamide?
The InChIKey is OKQZDOGSDAPQFG-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H29NO/c1-7-16(6)18-13-12-17-10-8-9-11-19(17)20(18)21(23)22(14(2)3)15(4)5/h8-16H,7H2,1-6H3/t16-/m1/s1.
What are the key properties of 2-[(2R)-butan-2-yl]-N,N-di(propan-2-yl)naphthalene-1-carboxamide?
2-[(2R)-butan-2-yl]-N,N-di(propan-2-yl)naphthalene-1-carboxamide has a molecular weight of 311.47 g/mol, XLogP of 5.61, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-butan-2-yl]-N,N-di(propan-2-yl)naphthalene-1-carboxamide is sourced from PubChem (CID 102067521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).