2-[(2S)-3-hydroxy-3-methylbutan-2-yl]-N,N-di(propan-2-yl)naphthalene-1-carboxamide

C22H31NO2 — CID 102067522

IUPAC2-[(2S)-3-hydroxy-3-methylbutan-2-yl]-N,N-di(propan-2-yl)naphthalene-1-carboxamide
SMILESCC(C)N(C(=O)c1c([C@H](C)C(C)(C)O)ccc2ccccc12)C(C)C
InChIInChI=1S/C22H31NO2/c1-14(2)23(15(3)4)21(24)20-18(16(5)22(6,7)25)13-12-17-10-8-9-11-19(17)20/h8-16,25H,1-7H3/t16-/m0/s1
InChIKeyBOPIAQMBWZKEIO-INIZCTEOSA-N
MW341.50 g/mol
LogP4.97
Rot. Bonds5

About 2-[(2S)-3-hydroxy-3-methylbutan-2-yl]-N,N-di(propan-2-yl)naphthalene-1-carboxamide

2-[(2S)-3-hydroxy-3-methylbutan-2-yl]-N,N-di(propan-2-yl)naphthalene-1-carboxamide (PubChem CID 102067522) has the molecular formula C22H31NO2 and a molecular weight of 341.50 g/mol. Its IUPAC name is 2-[(2S)-3-hydroxy-3-methylbutan-2-yl]-N,N-di(propan-2-yl)naphthalene-1-carboxamide.

Molecular Properties

Compound Name2-[(2S)-3-hydroxy-3-methylbutan-2-yl]-N,N-di(propan-2-yl)naphthalene-1-carboxamide
PubChem CID102067522
Molecular FormulaC22H31NO2
Molecular Weight341.50 g/mol
Exact Mass341.24
IUPAC Name2-[(2S)-3-hydroxy-3-methylbutan-2-yl]-N,N-di(propan-2-yl)naphthalene-1-carboxamide
SMILESCC(C)N(C(=O)c1c([C@H](C)C(C)(C)O)ccc2ccccc12)C(C)C
InChIInChI=1S/C22H31NO2/c1-14(2)23(15(3)4)21(24)20-18(16(5)22(6,7)25)13-12-17-10-8-9-11-19(17)20/h8-16,25H,1-7H3/t16-/m0/s1
InChIKeyBOPIAQMBWZKEIO-INIZCTEOSA-N
XLogP4.97
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-3-hydroxy-3-methylbutan-2-yl]-N,N-di(propan-2-yl)naphthalene-1-carboxamide?
The IUPAC name of 2-[(2S)-3-hydroxy-3-methylbutan-2-yl]-N,N-di(propan-2-yl)naphthalene-1-carboxamide (CID 102067522) is 2-[(2S)-3-hydroxy-3-methylbutan-2-yl]-N,N-di(propan-2-yl)naphthalene-1-carboxamide.
What is the SMILES notation for 2-[(2S)-3-hydroxy-3-methylbutan-2-yl]-N,N-di(propan-2-yl)naphthalene-1-carboxamide?
The canonical SMILES for 2-[(2S)-3-hydroxy-3-methylbutan-2-yl]-N,N-di(propan-2-yl)naphthalene-1-carboxamide is CC(C)N(C(=O)c1c([C@H](C)C(C)(C)O)ccc2ccccc12)C(C)C.
What is the InChIKey of 2-[(2S)-3-hydroxy-3-methylbutan-2-yl]-N,N-di(propan-2-yl)naphthalene-1-carboxamide?
The InChIKey is BOPIAQMBWZKEIO-INIZCTEOSA-N. The full InChI is InChI=1S/C22H31NO2/c1-14(2)23(15(3)4)21(24)20-18(16(5)22(6,7)25)13-12-17-10-8-9-11-19(17)20/h8-16,25H,1-7H3/t16-/m0/s1.
What are the key properties of 2-[(2S)-3-hydroxy-3-methylbutan-2-yl]-N,N-di(propan-2-yl)naphthalene-1-carboxamide?
2-[(2S)-3-hydroxy-3-methylbutan-2-yl]-N,N-di(propan-2-yl)naphthalene-1-carboxamide has a molecular weight of 341.50 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-3-hydroxy-3-methylbutan-2-yl]-N,N-di(propan-2-yl)naphthalene-1-carboxamide is sourced from PubChem (CID 102067522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).