3-amino-N-(2-hydroxy-3-methoxypropyl)-N-methylcyclohexane-1-carboxamide

C12H24N2O3 — CID 62777041

IUPAC3-amino-N-(2-hydroxy-3-methoxypropyl)-N-methylcyclohexane-1-carboxamide
SMILESCOCC(O)CN(C)C(=O)C1CCCC(N)C1
InChIInChI=1S/C12H24N2O3/c1-14(7-11(15)8-17-2)12(16)9-4-3-5-10(13)6-9/h9-11,15H,3-8,13H2,1-2H3
InChIKeyYFARXLUSVZIJFJ-UHFFFAOYSA-N
MW244.33 g/mol
LogP-0.03
Rot. Bonds5

About 3-amino-N-(2-hydroxy-3-methoxypropyl)-N-methylcyclohexane-1-carboxamide

3-amino-N-(2-hydroxy-3-methoxypropyl)-N-methylcyclohexane-1-carboxamide (PubChem CID 62777041) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 3-amino-N-(2-hydroxy-3-methoxypropyl)-N-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-hydroxy-3-methoxypropyl)-N-methylcyclohexane-1-carboxamide
PubChem CID62777041
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name3-amino-N-(2-hydroxy-3-methoxypropyl)-N-methylcyclohexane-1-carboxamide
SMILESCOCC(O)CN(C)C(=O)C1CCCC(N)C1
InChIInChI=1S/C12H24N2O3/c1-14(7-11(15)8-17-2)12(16)9-4-3-5-10(13)6-9/h9-11,15H,3-8,13H2,1-2H3
InChIKeyYFARXLUSVZIJFJ-UHFFFAOYSA-N
XLogP-0.03
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-methyl-N-propylcyclohexane-1-carboxamide
CID 62778074
1-acetyl-N-(2-hydroxy-3-methoxypropyl)-N-methylpiperidine-3-carboxamide
CID 54993733
3-amino-N-(2-hydroxypropyl)-N-methylcyclopentane-1-carboxamide
CID 66007556
3-amino-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]cyclohexane-1-carboxamide
CID 113267257
3-amino-N-(3-hydroxy-4-methoxybutyl)cyclohexane-1-carboxamide
CID 113423463
N-(2-bromo-3-methoxypropyl)-N-methylcyclobutanecarboxamide
CID 80671637
3-amino-N,N-bis(2-methylpropyl)cyclohexane-1-carboxamide
CID 55134536
3-[(3-aminocyclohexanecarbonyl)-methylamino]propanoic acid
CID 63046966
N-(2-hydroxy-3-methoxypropyl)-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 54999254
3-amino-N-methyl-N-[2-(methylamino)-2-oxoethyl]cyclohexane-1-carboxamide
CID 62775426
1-(3-aminocyclohexyl)-4-methoxy-2-methylbutan-1-one
CID 116568865
N-(2-hydroxy-3-methoxypropyl)-N-methyloxane-2-carboxamide
CID 62213191

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-hydroxy-3-methoxypropyl)-N-methylcyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-(2-hydroxy-3-methoxypropyl)-N-methylcyclohexane-1-carboxamide (CID 62777041) is 3-amino-N-(2-hydroxy-3-methoxypropyl)-N-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(2-hydroxy-3-methoxypropyl)-N-methylcyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-(2-hydroxy-3-methoxypropyl)-N-methylcyclohexane-1-carboxamide is COCC(O)CN(C)C(=O)C1CCCC(N)C1.
What is the InChIKey of 3-amino-N-(2-hydroxy-3-methoxypropyl)-N-methylcyclohexane-1-carboxamide?
The InChIKey is YFARXLUSVZIJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-14(7-11(15)8-17-2)12(16)9-4-3-5-10(13)6-9/h9-11,15H,3-8,13H2,1-2H3.
What are the key properties of 3-amino-N-(2-hydroxy-3-methoxypropyl)-N-methylcyclohexane-1-carboxamide?
3-amino-N-(2-hydroxy-3-methoxypropyl)-N-methylcyclohexane-1-carboxamide has a molecular weight of 244.33 g/mol, XLogP of -0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-hydroxy-3-methoxypropyl)-N-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 62777041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).