4-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-(propan-2-ylamino)butanamide

C17H34N2O2 — CID 63040968

IUPAC4-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-(propan-2-ylamino)butanamide
SMILESCC1CCC(C(C)C)C(OCCC(NC(C)C)C(N)=O)C1
InChIInChI=1S/C17H34N2O2/c1-11(2)14-7-6-13(5)10-16(14)21-9-8-15(17(18)20)19-12(3)4/h11-16,19H,6-10H2,1-5H3,(H2,18,20)
InChIKeyLSTXWSSOHRWHAU-UHFFFAOYSA-N
MW298.47 g/mol
LogP2.71
Rot. Bonds8

About 4-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-(propan-2-ylamino)butanamide

4-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-(propan-2-ylamino)butanamide (PubChem CID 63040968) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is 4-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-(propan-2-ylamino)butanamide.

Molecular Properties

Compound Name4-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-(propan-2-ylamino)butanamide
PubChem CID63040968
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Name4-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-(propan-2-ylamino)butanamide
SMILESCC1CCC(C(C)C)C(OCCC(NC(C)C)C(N)=O)C1
InChIInChI=1S/C17H34N2O2/c1-11(2)14-7-6-13(5)10-16(14)21-9-8-15(17(18)20)19-12(3)4/h11-16,19H,6-10H2,1-5H3,(H2,18,20)
InChIKeyLSTXWSSOHRWHAU-UHFFFAOYSA-N
XLogP2.71
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide
CID 68536872
2-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanol
CID 11651336
4-methyl-1-propan-2-yl-2-propoxycyclohexane
CID 54499043
3-methyl-1-[(1R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxybutan-2-one
CID 130410144
3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-ol
CID 16734861
N-(cyclopropylmethyl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanamine
CID 62572050
4-(cyclopropylmethoxy)-2-(propan-2-ylamino)butanamide
CID 63041185
2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl chloride
CID 12543931
2-[(1S,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetic acid
CID 25277154
[(2S)-5-methyl-2-propan-2-ylcyclohexyl] 2-methylpropanoate
CID 90138993
(1S,2R,4R)-2-(2-bromoethoxy)-4-methyl-1-propan-2-ylcyclohexane
CID 22883721
[(1S,5S)-5-methyl-2-propan-2-ylcyclohexyl] 2-methylpropanoate
CID 90138995

Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-(propan-2-ylamino)butanamide?
The IUPAC name of 4-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-(propan-2-ylamino)butanamide (CID 63040968) is 4-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-(propan-2-ylamino)butanamide.
What is the SMILES notation for 4-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-(propan-2-ylamino)butanamide?
The canonical SMILES for 4-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-(propan-2-ylamino)butanamide is CC1CCC(C(C)C)C(OCCC(NC(C)C)C(N)=O)C1.
What is the InChIKey of 4-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-(propan-2-ylamino)butanamide?
The InChIKey is LSTXWSSOHRWHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-11(2)14-7-6-13(5)10-16(14)21-9-8-15(17(18)20)19-12(3)4/h11-16,19H,6-10H2,1-5H3,(H2,18,20).
What are the key properties of 4-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-(propan-2-ylamino)butanamide?
4-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-(propan-2-ylamino)butanamide has a molecular weight of 298.47 g/mol, XLogP of 2.71, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-(propan-2-ylamino)butanamide is sourced from PubChem (CID 63040968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).