N-[(2R)-2-(3,3-dimethylbutanoylamino)-3-methoxy-2-methylpropyl]-3,3-dimethylbutanamide

C17H34N2O3 — CID 95768929

IUPACN-[(2R)-2-(3,3-dimethylbutanoylamino)-3-methoxy-2-methylpropyl]-3,3-dimethylbutanamide
SMILESCOC[C@@](C)(CNC(=O)CC(C)(C)C)NC(=O)CC(C)(C)C
InChIInChI=1S/C17H34N2O3/c1-15(2,3)9-13(20)18-11-17(7,12-22-8)19-14(21)10-16(4,5)6/h9-12H2,1-8H3,(H,18,20)(H,19,21)/t17-/m1/s1
InChIKeySATODSPJSFGQMB-QGZVFWFLSA-N
MW314.47 g/mol
LogP2.50
Rot. Bonds7

About N-[(2R)-2-(3,3-dimethylbutanoylamino)-3-methoxy-2-methylpropyl]-3,3-dimethylbutanamide

N-[(2R)-2-(3,3-dimethylbutanoylamino)-3-methoxy-2-methylpropyl]-3,3-dimethylbutanamide (PubChem CID 95768929) has the molecular formula C17H34N2O3 and a molecular weight of 314.47 g/mol. Its IUPAC name is N-[(2R)-2-(3,3-dimethylbutanoylamino)-3-methoxy-2-methylpropyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[(2R)-2-(3,3-dimethylbutanoylamino)-3-methoxy-2-methylpropyl]-3,3-dimethylbutanamide
PubChem CID95768929
Molecular FormulaC17H34N2O3
Molecular Weight314.47 g/mol
Exact Mass314.26
IUPAC NameN-[(2R)-2-(3,3-dimethylbutanoylamino)-3-methoxy-2-methylpropyl]-3,3-dimethylbutanamide
SMILESCOC[C@@](C)(CNC(=O)CC(C)(C)C)NC(=O)CC(C)(C)C
InChIInChI=1S/C17H34N2O3/c1-15(2,3)9-13(20)18-11-17(7,12-22-8)19-14(21)10-16(4,5)6/h9-12H2,1-8H3,(H,18,20)(H,19,21)/t17-/m1/s1
InChIKeySATODSPJSFGQMB-QGZVFWFLSA-N
XLogP2.50
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(3,3-dimethylbutanoylamino)-3-methoxy-2-methylpropyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[(2R)-2-(3,3-dimethylbutanoylamino)-3-methoxy-2-methylpropyl]-3,3-dimethylbutanamide (CID 95768929) is N-[(2R)-2-(3,3-dimethylbutanoylamino)-3-methoxy-2-methylpropyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[(2R)-2-(3,3-dimethylbutanoylamino)-3-methoxy-2-methylpropyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[(2R)-2-(3,3-dimethylbutanoylamino)-3-methoxy-2-methylpropyl]-3,3-dimethylbutanamide is COC[C@@](C)(CNC(=O)CC(C)(C)C)NC(=O)CC(C)(C)C.
What is the InChIKey of N-[(2R)-2-(3,3-dimethylbutanoylamino)-3-methoxy-2-methylpropyl]-3,3-dimethylbutanamide?
The InChIKey is SATODSPJSFGQMB-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H34N2O3/c1-15(2,3)9-13(20)18-11-17(7,12-22-8)19-14(21)10-16(4,5)6/h9-12H2,1-8H3,(H,18,20)(H,19,21)/t17-/m1/s1.
What are the key properties of N-[(2R)-2-(3,3-dimethylbutanoylamino)-3-methoxy-2-methylpropyl]-3,3-dimethylbutanamide?
N-[(2R)-2-(3,3-dimethylbutanoylamino)-3-methoxy-2-methylpropyl]-3,3-dimethylbutanamide has a molecular weight of 314.47 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(3,3-dimethylbutanoylamino)-3-methoxy-2-methylpropyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 95768929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).