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

C22H33NOSi — CID 101183302

IUPACN,N-di(propan-2-yl)-2-[(1R)-1-trimethylsilylethyl]naphthalene-1-carboxamide
SMILESCC(C)N(C(=O)c1c([C@@H](C)[Si](C)(C)C)ccc2ccccc12)C(C)C
InChIInChI=1S/C22H33NOSi/c1-15(2)23(16(3)4)22(24)21-19(17(5)25(6,7)8)14-13-18-11-9-10-12-20(18)21/h9-17H,1-8H3/t17-/m1/s1
InChIKeyOTHRFAHZSAQLPT-QGZVFWFLSA-N
MW355.60 g/mol
LogP6.08
Rot. Bonds5

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

N,N-di(propan-2-yl)-2-[(1R)-1-trimethylsilylethyl]naphthalene-1-carboxamide (PubChem CID 101183302) has the molecular formula C22H33NOSi and a molecular weight of 355.60 g/mol. Its IUPAC name is N,N-di(propan-2-yl)-2-[(1R)-1-trimethylsilylethyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN,N-di(propan-2-yl)-2-[(1R)-1-trimethylsilylethyl]naphthalene-1-carboxamide
PubChem CID101183302
Molecular FormulaC22H33NOSi
Molecular Weight355.60 g/mol
Exact Mass355.23
IUPAC NameN,N-di(propan-2-yl)-2-[(1R)-1-trimethylsilylethyl]naphthalene-1-carboxamide
SMILESCC(C)N(C(=O)c1c([C@@H](C)[Si](C)(C)C)ccc2ccccc12)C(C)C
InChIInChI=1S/C22H33NOSi/c1-15(2)23(16(3)4)22(24)21-19(17(5)25(6,7)8)14-13-18-11-9-10-12-20(18)21/h9-17H,1-8H3/t17-/m1/s1
InChIKeyOTHRFAHZSAQLPT-QGZVFWFLSA-N
XLogP6.08
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.60
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[(2R)-butan-2-yl]-N,N-di(propan-2-yl)naphthalene-1-carboxamide
CID 102067521
2-[(2S)-3-hydroxy-3-methylbutan-2-yl]-N,N-di(propan-2-yl)naphthalene-1-carboxamide
CID 102067522
2-methyl-N,N-di(propan-2-yl)naphthalene-1-carboxamide
CID 15828026
2-phenylsulfanyl-N,N-di(propan-2-yl)-6-[(1R)-1-trimethylsilylethyl]benzamide
CID 101376994
N,N-di(heptan-4-yl)-2-[hydroxy(phenyl)methyl]naphthalene-1-carboxamide
CID 10790677
2-O-[(1S)-1-[1-[di(propan-2-yl)carbamoyl]naphthalen-2-yl]ethyl] 1-O-methyl (1R,2S)-cyclohex-4-ene-1,2-dicarboxylate
CID 101148936
cis-(1S,2R)-2-[(1S)-1-[1-[di(propan-2-yl)carbamoyl]naphthalen-2-yl]ethoxy]carbonylcyclohexane-1-carboxylic acid
CID 11351488
2-[(1S,2S)-1-[benzyl(methyl)amino]-1-[2-[di(propan-2-yl)carbamoyl]phenyl]propan-2-yl]-N,N-di(propan-2-yl)naphthalene-1-carboxamide
CID 11700089
2-[dihydroxy-(2,4,6-trimethylphenyl)silyl]-N,N-di(propan-2-yl)naphthalene-1-carboxamide
CID 102459740
2-(diethoxymethyl)-N,N-dimethylnaphthalene-1-carboxamide
CID 10685706
2-isoquinolin-4-yl-6-methoxy-N,N-di(propan-2-yl)benzamide
CID 39781804
[2-[di(propan-2-yl)amino]-2-oxoethyl] anthracene-9-carboxylate
CID 2511499

Frequently Asked Questions

What is the IUPAC name of N,N-di(propan-2-yl)-2-[(1R)-1-trimethylsilylethyl]naphthalene-1-carboxamide?
The IUPAC name of N,N-di(propan-2-yl)-2-[(1R)-1-trimethylsilylethyl]naphthalene-1-carboxamide (CID 101183302) is N,N-di(propan-2-yl)-2-[(1R)-1-trimethylsilylethyl]naphthalene-1-carboxamide.
What is the SMILES notation for N,N-di(propan-2-yl)-2-[(1R)-1-trimethylsilylethyl]naphthalene-1-carboxamide?
The canonical SMILES for N,N-di(propan-2-yl)-2-[(1R)-1-trimethylsilylethyl]naphthalene-1-carboxamide is CC(C)N(C(=O)c1c([C@@H](C)[Si](C)(C)C)ccc2ccccc12)C(C)C.
What is the InChIKey of N,N-di(propan-2-yl)-2-[(1R)-1-trimethylsilylethyl]naphthalene-1-carboxamide?
The InChIKey is OTHRFAHZSAQLPT-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H33NOSi/c1-15(2)23(16(3)4)22(24)21-19(17(5)25(6,7)8)14-13-18-11-9-10-12-20(18)21/h9-17H,1-8H3/t17-/m1/s1.
What are the key properties of N,N-di(propan-2-yl)-2-[(1R)-1-trimethylsilylethyl]naphthalene-1-carboxamide?
N,N-di(propan-2-yl)-2-[(1R)-1-trimethylsilylethyl]naphthalene-1-carboxamide has a molecular weight of 355.60 g/mol, XLogP of 6.08, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(propan-2-yl)-2-[(1R)-1-trimethylsilylethyl]naphthalene-1-carboxamide is sourced from PubChem (CID 101183302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).