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

C14H28N2O3 — CID 61219988

IUPAC2-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-2-methylpropanamide
SMILESCC1CCCC(OCC(O)CNC(C)(C)C(N)=O)C1
InChIInChI=1S/C14H28N2O3/c1-10-5-4-6-12(7-10)19-9-11(17)8-16-14(2,3)13(15)18/h10-12,16-17H,4-9H2,1-3H3,(H2,15,18)
InChIKeyUGTMRNPLRFQPDG-UHFFFAOYSA-N
MW272.39 g/mol
LogP0.80
Rot. Bonds7

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

2-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-2-methylpropanamide (PubChem CID 61219988) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-2-methylpropanamide.

Molecular Properties

Compound Name2-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-2-methylpropanamide
PubChem CID61219988
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name2-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-2-methylpropanamide
SMILESCC1CCCC(OCC(O)CNC(C)(C)C(N)=O)C1
InChIInChI=1S/C14H28N2O3/c1-10-5-4-6-12(7-10)19-9-11(17)8-16-14(2,3)13(15)18/h10-12,16-17H,4-9H2,1-3H3,(H2,15,18)
InChIKeyUGTMRNPLRFQPDG-UHFFFAOYSA-N
XLogP0.80
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-3-methylbutanamide
CID 104580076
2-[(3-cyclohexyloxy-2-hydroxypropyl)amino]-2-methylpropanamide
CID 61218646
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
1-[(2-methoxy-2-methylpropyl)amino]-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 104760485
1-(2-hydroxypropylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 60634608
1-[[(1R)-1-cyclopentylethyl]amino]-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 81394530
3-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-4-methylpentan-1-ol
CID 104891895
1-(3-methylcyclohexyl)oxy-3-(pentan-2-ylamino)propan-2-ol
CID 60634369
1-(2-cyclopentyloxyethylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 63828739
1-(3-methylcyclohexyl)oxy-3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-2-ol
CID 106212408

Frequently Asked Questions

What is the IUPAC name of 2-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-2-methylpropanamide?
The IUPAC name of 2-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-2-methylpropanamide (CID 61219988) is 2-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-2-methylpropanamide.
What is the SMILES notation for 2-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-2-methylpropanamide?
The canonical SMILES for 2-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-2-methylpropanamide is CC1CCCC(OCC(O)CNC(C)(C)C(N)=O)C1.
What is the InChIKey of 2-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-2-methylpropanamide?
The InChIKey is UGTMRNPLRFQPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-10-5-4-6-12(7-10)19-9-11(17)8-16-14(2,3)13(15)18/h10-12,16-17H,4-9H2,1-3H3,(H2,15,18).
What are the key properties of 2-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-2-methylpropanamide?
2-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-2-methylpropanamide has a molecular weight of 272.39 g/mol, XLogP of 0.80, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-2-methylpropanamide is sourced from PubChem (CID 61219988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).