(2R)-2-amino-N-[1-(2,6-dimethylcyclohexyl)oxypropan-2-yl]-3-methylbutanamide

C16H32N2O2 — CID 90383820

IUPAC(2R)-2-amino-N-[1-(2,6-dimethylcyclohexyl)oxypropan-2-yl]-3-methylbutanamide
SMILESCC(COC1C(C)CCCC1C)NC(=O)[C@H](N)C(C)C
InChIInChI=1S/C16H32N2O2/c1-10(2)14(17)16(19)18-13(5)9-20-15-11(3)7-6-8-12(15)4/h10-15H,6-9,17H2,1-5H3,(H,18,19)/t11?,12?,13?,14-,15?/m1/s1
InChIKeyNIQSUAWROWRZSG-WRHSUISWSA-N
MW284.44 g/mol
LogP2.32
Rot. Bonds6

About (2R)-2-amino-N-[1-(2,6-dimethylcyclohexyl)oxypropan-2-yl]-3-methylbutanamide

(2R)-2-amino-N-[1-(2,6-dimethylcyclohexyl)oxypropan-2-yl]-3-methylbutanamide (PubChem CID 90383820) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is (2R)-2-amino-N-[1-(2,6-dimethylcyclohexyl)oxypropan-2-yl]-3-methylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[1-(2,6-dimethylcyclohexyl)oxypropan-2-yl]-3-methylbutanamide
PubChem CID90383820
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name(2R)-2-amino-N-[1-(2,6-dimethylcyclohexyl)oxypropan-2-yl]-3-methylbutanamide
SMILESCC(COC1C(C)CCCC1C)NC(=O)[C@H](N)C(C)C
InChIInChI=1S/C16H32N2O2/c1-10(2)14(17)16(19)18-13(5)9-20-15-11(3)7-6-8-12(15)4/h10-15H,6-9,17H2,1-5H3,(H,18,19)/t11?,12?,13?,14-,15?/m1/s1
InChIKeyNIQSUAWROWRZSG-WRHSUISWSA-N
XLogP2.32
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[1-(2,6-dimethylcyclohexyl)oxypropan-2-yl]-3-methylbutanamide?
The IUPAC name of (2R)-2-amino-N-[1-(2,6-dimethylcyclohexyl)oxypropan-2-yl]-3-methylbutanamide (CID 90383820) is (2R)-2-amino-N-[1-(2,6-dimethylcyclohexyl)oxypropan-2-yl]-3-methylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-[1-(2,6-dimethylcyclohexyl)oxypropan-2-yl]-3-methylbutanamide?
The canonical SMILES for (2R)-2-amino-N-[1-(2,6-dimethylcyclohexyl)oxypropan-2-yl]-3-methylbutanamide is CC(COC1C(C)CCCC1C)NC(=O)[C@H](N)C(C)C.
What is the InChIKey of (2R)-2-amino-N-[1-(2,6-dimethylcyclohexyl)oxypropan-2-yl]-3-methylbutanamide?
The InChIKey is NIQSUAWROWRZSG-WRHSUISWSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-10(2)14(17)16(19)18-13(5)9-20-15-11(3)7-6-8-12(15)4/h10-15H,6-9,17H2,1-5H3,(H,18,19)/t11?,12?,13?,14-,15?/m1/s1.
What are the key properties of (2R)-2-amino-N-[1-(2,6-dimethylcyclohexyl)oxypropan-2-yl]-3-methylbutanamide?
(2R)-2-amino-N-[1-(2,6-dimethylcyclohexyl)oxypropan-2-yl]-3-methylbutanamide has a molecular weight of 284.44 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[1-(2,6-dimethylcyclohexyl)oxypropan-2-yl]-3-methylbutanamide is sourced from PubChem (CID 90383820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).