N-[(2S)-4-(dimethylamino)-3,3-dimethylbutan-2-yl]-2-[(1R,2R)-2-methylcyclohexyl]oxyacetamide

C17H34N2O2 — CID 95971888

IUPACN-[(2S)-4-(dimethylamino)-3,3-dimethylbutan-2-yl]-2-[(1R,2R)-2-methylcyclohexyl]oxyacetamide
SMILESC[C@@H]1CCCC[C@H]1OCC(=O)N[C@@H](C)C(C)(C)CN(C)C
InChIInChI=1S/C17H34N2O2/c1-13-9-7-8-10-15(13)21-11-16(20)18-14(2)17(3,4)12-19(5)6/h13-15H,7-12H2,1-6H3,(H,18,20)/t13-,14+,15-/m1/s1
InChIKeyRSQLURIBEIQBKP-QLFBSQMISA-N
MW298.47 g/mol
LogP2.67
Rot. Bonds7

About N-[(2S)-4-(dimethylamino)-3,3-dimethylbutan-2-yl]-2-[(1R,2R)-2-methylcyclohexyl]oxyacetamide

N-[(2S)-4-(dimethylamino)-3,3-dimethylbutan-2-yl]-2-[(1R,2R)-2-methylcyclohexyl]oxyacetamide (PubChem CID 95971888) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is N-[(2S)-4-(dimethylamino)-3,3-dimethylbutan-2-yl]-2-[(1R,2R)-2-methylcyclohexyl]oxyacetamide.

Molecular Properties

Compound NameN-[(2S)-4-(dimethylamino)-3,3-dimethylbutan-2-yl]-2-[(1R,2R)-2-methylcyclohexyl]oxyacetamide
PubChem CID95971888
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC NameN-[(2S)-4-(dimethylamino)-3,3-dimethylbutan-2-yl]-2-[(1R,2R)-2-methylcyclohexyl]oxyacetamide
SMILESC[C@@H]1CCCC[C@H]1OCC(=O)N[C@@H](C)C(C)(C)CN(C)C
InChIInChI=1S/C17H34N2O2/c1-13-9-7-8-10-15(13)21-11-16(20)18-14(2)17(3,4)12-19(5)6/h13-15H,7-12H2,1-6H3,(H,18,20)/t13-,14+,15-/m1/s1
InChIKeyRSQLURIBEIQBKP-QLFBSQMISA-N
XLogP2.67
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-(dimethylamino)-3,3-dimethylbutan-2-yl]-2-[(1R,2R)-2-methylcyclohexyl]oxyacetamide?
The IUPAC name of N-[(2S)-4-(dimethylamino)-3,3-dimethylbutan-2-yl]-2-[(1R,2R)-2-methylcyclohexyl]oxyacetamide (CID 95971888) is N-[(2S)-4-(dimethylamino)-3,3-dimethylbutan-2-yl]-2-[(1R,2R)-2-methylcyclohexyl]oxyacetamide.
What is the SMILES notation for N-[(2S)-4-(dimethylamino)-3,3-dimethylbutan-2-yl]-2-[(1R,2R)-2-methylcyclohexyl]oxyacetamide?
The canonical SMILES for N-[(2S)-4-(dimethylamino)-3,3-dimethylbutan-2-yl]-2-[(1R,2R)-2-methylcyclohexyl]oxyacetamide is C[C@@H]1CCCC[C@H]1OCC(=O)N[C@@H](C)C(C)(C)CN(C)C.
What is the InChIKey of N-[(2S)-4-(dimethylamino)-3,3-dimethylbutan-2-yl]-2-[(1R,2R)-2-methylcyclohexyl]oxyacetamide?
The InChIKey is RSQLURIBEIQBKP-QLFBSQMISA-N. The full InChI is InChI=1S/C17H34N2O2/c1-13-9-7-8-10-15(13)21-11-16(20)18-14(2)17(3,4)12-19(5)6/h13-15H,7-12H2,1-6H3,(H,18,20)/t13-,14+,15-/m1/s1.
What are the key properties of N-[(2S)-4-(dimethylamino)-3,3-dimethylbutan-2-yl]-2-[(1R,2R)-2-methylcyclohexyl]oxyacetamide?
N-[(2S)-4-(dimethylamino)-3,3-dimethylbutan-2-yl]-2-[(1R,2R)-2-methylcyclohexyl]oxyacetamide has a molecular weight of 298.47 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4-(dimethylamino)-3,3-dimethylbutan-2-yl]-2-[(1R,2R)-2-methylcyclohexyl]oxyacetamide is sourced from PubChem (CID 95971888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).