4-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]cyclohexane-1-carboxamide

C14H28N2O3 — CID 54913944

IUPAC4-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]cyclohexane-1-carboxamide
SMILESCC(C)COCC(O)CNC1CCC(C(N)=O)CC1
InChIInChI=1S/C14H28N2O3/c1-10(2)8-19-9-13(17)7-16-12-5-3-11(4-6-12)14(15)18/h10-13,16-17H,3-9H2,1-2H3,(H2,15,18)
InChIKeyUODNQLIHPAZXEN-UHFFFAOYSA-N
MW272.39 g/mol
LogP0.65
Rot. Bonds8

About 4-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]cyclohexane-1-carboxamide

4-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]cyclohexane-1-carboxamide (PubChem CID 54913944) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is 4-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]cyclohexane-1-carboxamide
PubChem CID54913944
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name4-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]cyclohexane-1-carboxamide
SMILESCC(C)COCC(O)CNC1CCC(C(N)=O)CC1
InChIInChI=1S/C14H28N2O3/c1-10(2)8-19-9-13(17)7-16-12-5-3-11(4-6-12)14(15)18/h10-13,16-17H,3-9H2,1-2H3,(H2,15,18)
InChIKeyUODNQLIHPAZXEN-UHFFFAOYSA-N
XLogP0.65
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-cyclohexyloxy-2-hydroxypropyl)amino]cyclohexane-1-carboxamide
CID 61044585
4-(2-hydroxybutylamino)cyclohexane-1-carboxamide
CID 61042883
1-(cyclooctylamino)-3-(2-methylpropoxy)propan-2-ol
CID 60635542
4-[(3-ethoxy-2-hydroxypropyl)amino]cyclohexane-1-carboxylic acid
CID 63931576
3-[(4-carbamoylcyclohexyl)amino]-2-methylpropanoic acid
CID 61044220
1-cyclopropyl-3-[2-hydroxy-3-(2-methylpropoxy)propyl]urea
CID 55767176
1-(cyclopropylamino)-3-ethoxypropan-2-ol
CID 43166145
4-(2-cyanopropylamino)cyclohexane-1-carboxamide
CID 61043742
1-(cyclopropylamino)-3-methoxypropan-2-ol
CID 21034992
1-ethoxy-3-[(4-methylcyclohexyl)amino]propan-2-ol
CID 63931912
2-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]oxyacetamide
CID 112673777
N-cyclopropyl-4-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]butanamide
CID 79394457

Frequently Asked Questions

What is the IUPAC name of 4-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]cyclohexane-1-carboxamide?
The IUPAC name of 4-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]cyclohexane-1-carboxamide (CID 54913944) is 4-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]cyclohexane-1-carboxamide is CC(C)COCC(O)CNC1CCC(C(N)=O)CC1.
What is the InChIKey of 4-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]cyclohexane-1-carboxamide?
The InChIKey is UODNQLIHPAZXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-10(2)8-19-9-13(17)7-16-12-5-3-11(4-6-12)14(15)18/h10-13,16-17H,3-9H2,1-2H3,(H2,15,18).
What are the key properties of 4-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]cyclohexane-1-carboxamide?
4-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]cyclohexane-1-carboxamide has a molecular weight of 272.39 g/mol, XLogP of 0.65, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 54913944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).