2-[(3-cyclohexyloxy-2-hydroxypropyl)amino]-2-methylpropanamide

C13H26N2O3 — CID 61218646

IUPAC2-[(3-cyclohexyloxy-2-hydroxypropyl)amino]-2-methylpropanamide
SMILESCC(C)(NCC(O)COC1CCCCC1)C(N)=O
InChIInChI=1S/C13H26N2O3/c1-13(2,12(14)17)15-8-10(16)9-18-11-6-4-3-5-7-11/h10-11,15-16H,3-9H2,1-2H3,(H2,14,17)
InChIKeyHJECJSAXWLFKOE-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.55
Rot. Bonds7

About 2-[(3-cyclohexyloxy-2-hydroxypropyl)amino]-2-methylpropanamide

2-[(3-cyclohexyloxy-2-hydroxypropyl)amino]-2-methylpropanamide (PubChem CID 61218646) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-[(3-cyclohexyloxy-2-hydroxypropyl)amino]-2-methylpropanamide.

Molecular Properties

Compound Name2-[(3-cyclohexyloxy-2-hydroxypropyl)amino]-2-methylpropanamide
PubChem CID61218646
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name2-[(3-cyclohexyloxy-2-hydroxypropyl)amino]-2-methylpropanamide
SMILESCC(C)(NCC(O)COC1CCCCC1)C(N)=O
InChIInChI=1S/C13H26N2O3/c1-13(2,12(14)17)15-8-10(16)9-18-11-6-4-3-5-7-11/h10-11,15-16H,3-9H2,1-2H3,(H2,14,17)
InChIKeyHJECJSAXWLFKOE-UHFFFAOYSA-N
XLogP0.55
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[(3-cyclohexyloxy-2-hydroxypropyl)amino]-2-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-2-methylpropanamide
CID 61219988
(Z)-but-2-enedioic acid;1-(tert-butylamino)-3-cyclooctyloxypropan-2-ol
CID 20840735
ethyl 2-[(3-cyclohexyloxy-2-hydroxypropyl)amino]propanoate
CID 61499198
3-[(3-cyclohexyloxy-2-hydroxypropyl)amino]propanamide
CID 54938816
2-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]amino]-2-methylpropanamide
CID 61221150
2-[(3-cyclohexyloxy-2-hydroxypropyl)amino]ethylurea
CID 83120361
ethyl 2-[(3-cyclopentyloxy-2-hydroxypropyl)amino]propanoate
CID 54960187
4-[(3-cyclohexyloxy-2-hydroxypropyl)amino]cyclohexane-1-carboxamide
CID 61044585
(E)-but-2-enedioic acid;1-cyclooctyloxy-3-(propan-2-ylamino)propan-2-ol
CID 6447189
1-cyclohexyloxy-3-[(2-methoxy-2-methylpropyl)amino]propan-2-ol
CID 104760353
3-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-3-methylbutanamide
CID 104580076
1-[[(1S)-1-cycloheptylethyl]amino]-3-cyclopentyloxypropan-2-ol
CID 81391866

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyclohexyloxy-2-hydroxypropyl)amino]-2-methylpropanamide?
The IUPAC name of 2-[(3-cyclohexyloxy-2-hydroxypropyl)amino]-2-methylpropanamide (CID 61218646) is 2-[(3-cyclohexyloxy-2-hydroxypropyl)amino]-2-methylpropanamide.
What is the SMILES notation for 2-[(3-cyclohexyloxy-2-hydroxypropyl)amino]-2-methylpropanamide?
The canonical SMILES for 2-[(3-cyclohexyloxy-2-hydroxypropyl)amino]-2-methylpropanamide is CC(C)(NCC(O)COC1CCCCC1)C(N)=O.
What is the InChIKey of 2-[(3-cyclohexyloxy-2-hydroxypropyl)amino]-2-methylpropanamide?
The InChIKey is HJECJSAXWLFKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-13(2,12(14)17)15-8-10(16)9-18-11-6-4-3-5-7-11/h10-11,15-16H,3-9H2,1-2H3,(H2,14,17).
What are the key properties of 2-[(3-cyclohexyloxy-2-hydroxypropyl)amino]-2-methylpropanamide?
2-[(3-cyclohexyloxy-2-hydroxypropyl)amino]-2-methylpropanamide has a molecular weight of 258.36 g/mol, XLogP of 0.55, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyclohexyloxy-2-hydroxypropyl)amino]-2-methylpropanamide is sourced from PubChem (CID 61218646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).