3-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-3-methylbutanamide

C15H30N2O3 — CID 104580076

IUPAC3-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-3-methylbutanamide
SMILESCC1CCCC(OCC(O)CNC(C)(C)CC(N)=O)C1
InChIInChI=1S/C15H30N2O3/c1-11-5-4-6-13(7-11)20-10-12(18)9-17-15(2,3)8-14(16)19/h11-13,17-18H,4-10H2,1-3H3,(H2,16,19)
InChIKeyZNTIORQRUSYHER-UHFFFAOYSA-N
MW286.42 g/mol
LogP1.19
Rot. Bonds8

About 3-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-3-methylbutanamide

3-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-3-methylbutanamide (PubChem CID 104580076) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is 3-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-3-methylbutanamide.

Molecular Properties

Compound Name3-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-3-methylbutanamide
PubChem CID104580076
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Name3-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-3-methylbutanamide
SMILESCC1CCCC(OCC(O)CNC(C)(C)CC(N)=O)C1
InChIInChI=1S/C15H30N2O3/c1-11-5-4-6-13(7-11)20-10-12(18)9-17-15(2,3)8-14(16)19/h11-13,17-18H,4-10H2,1-3H3,(H2,16,19)
InChIKeyZNTIORQRUSYHER-UHFFFAOYSA-N
XLogP1.19
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-2-methylpropanamide
CID 61219988
2-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]propanamide
CID 54938859
1-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-2-methylpropan-2-ol
CID 65106025
1-(ethylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 43166266
3-[(2-hydroxy-3-methoxypropyl)amino]-3-methylbutanamide
CID 104580249
1-[(2-methoxy-2-methylpropyl)amino]-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 104760485
2-[(3-cyclohexyloxy-2-hydroxypropyl)amino]-2-methylpropanamide
CID 61218646
1-(2-hydroxypropylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 60634608
1-(2-cyclopentyloxyethylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 63828739
3-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-4-methylpentan-1-ol
CID 104891895
1-(3-methylcyclohexyl)oxy-3-(2-propan-2-yloxyethylamino)propan-2-ol
CID 104760159
3-[(3-cyclopentyl-2-hydroxypropyl)amino]-3-methylbutanamide
CID 103274874

Frequently Asked Questions

What is the IUPAC name of 3-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-3-methylbutanamide?
The IUPAC name of 3-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-3-methylbutanamide (CID 104580076) is 3-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-3-methylbutanamide.
What is the SMILES notation for 3-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-3-methylbutanamide?
The canonical SMILES for 3-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-3-methylbutanamide is CC1CCCC(OCC(O)CNC(C)(C)CC(N)=O)C1.
What is the InChIKey of 3-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-3-methylbutanamide?
The InChIKey is ZNTIORQRUSYHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-11-5-4-6-13(7-11)20-10-12(18)9-17-15(2,3)8-14(16)19/h11-13,17-18H,4-10H2,1-3H3,(H2,16,19).
What are the key properties of 3-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-3-methylbutanamide?
3-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-3-methylbutanamide has a molecular weight of 286.42 g/mol, XLogP of 1.19, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-3-methylbutanamide is sourced from PubChem (CID 104580076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).