2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(4-methylcyclohexyl)acetamide

C14H28N2O3 — CID 62013818

IUPAC2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(4-methylcyclohexyl)acetamide
SMILESCOCC(O)CN(C)CC(=O)NC1CCC(C)CC1
InChIInChI=1S/C14H28N2O3/c1-11-4-6-12(7-5-11)15-14(18)9-16(2)8-13(17)10-19-3/h11-13,17H,4-10H2,1-3H3,(H,15,18)
InChIKeyLVYOEXJCWVAGHP-UHFFFAOYSA-N
MW272.39 g/mol
LogP0.62
Rot. Bonds7

About 2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(4-methylcyclohexyl)acetamide

2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(4-methylcyclohexyl)acetamide (PubChem CID 62013818) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(4-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(4-methylcyclohexyl)acetamide
PubChem CID62013818
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(4-methylcyclohexyl)acetamide
SMILESCOCC(O)CN(C)CC(=O)NC1CCC(C)CC1
InChIInChI=1S/C14H28N2O3/c1-11-4-6-12(7-5-11)15-14(18)9-16(2)8-13(17)10-19-3/h11-13,17H,4-10H2,1-3H3,(H,15,18)
InChIKeyLVYOEXJCWVAGHP-UHFFFAOYSA-N
XLogP0.62
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-[(2-hydroxy-3-methoxypropyl)-methylamino]acetamide
CID 62015546
N-(cyclopropylmethyl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]acetamide
CID 62016128
2-[methyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]amino]acetic acid
CID 43442686
N-cyclopropyl-2-[[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-methylamino]acetamide
CID 26005258
N-cyclopropyl-2-[[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-methylamino]acetamide
CID 111105801
1-(3,5-dimethylpiperidin-1-yl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]ethanone
CID 62013810
2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-3-methoxypropanoic acid
CID 103224685
2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-pentan-2-ylacetamide
CID 62014011
N-cyclopropyl-2-[(2-hydroxy-3-methoxypropyl)amino]acetamide
CID 63929849
(3S)-3-hydroxy-N-(4-methylcyclohexyl)butanamide
CID 89423792
2-[(3-amino-2-ethoxypropyl)-methylamino]-N-cyclopropylacetamide
CID 63070047
N-cyclopropyl-2-[methoxy(methyl)amino]acetamide
CID 131224480

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(4-methylcyclohexyl)acetamide?
The IUPAC name of 2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(4-methylcyclohexyl)acetamide (CID 62013818) is 2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(4-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(4-methylcyclohexyl)acetamide?
The canonical SMILES for 2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(4-methylcyclohexyl)acetamide is COCC(O)CN(C)CC(=O)NC1CCC(C)CC1.
What is the InChIKey of 2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(4-methylcyclohexyl)acetamide?
The InChIKey is LVYOEXJCWVAGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-11-4-6-12(7-5-11)15-14(18)9-16(2)8-13(17)10-19-3/h11-13,17H,4-10H2,1-3H3,(H,15,18).
What are the key properties of 2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(4-methylcyclohexyl)acetamide?
2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(4-methylcyclohexyl)acetamide has a molecular weight of 272.39 g/mol, XLogP of 0.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(4-methylcyclohexyl)acetamide is sourced from PubChem (CID 62013818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).