2-[(2-hydroxycyclohexyl)methylamino]-N-(2-methoxyethyl)acetamide

C12H24N2O3 — CID 64913466

IUPAC2-[(2-hydroxycyclohexyl)methylamino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CNCC1CCCCC1O
InChIInChI=1S/C12H24N2O3/c1-17-7-6-14-12(16)9-13-8-10-4-2-3-5-11(10)15/h10-11,13,15H,2-9H2,1H3,(H,14,16)
InChIKeyDKQUIUNCAKZUEK-UHFFFAOYSA-N
MW244.33 g/mol
LogP-0.11
Rot. Bonds7

About 2-[(2-hydroxycyclohexyl)methylamino]-N-(2-methoxyethyl)acetamide

2-[(2-hydroxycyclohexyl)methylamino]-N-(2-methoxyethyl)acetamide (PubChem CID 64913466) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2-[(2-hydroxycyclohexyl)methylamino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[(2-hydroxycyclohexyl)methylamino]-N-(2-methoxyethyl)acetamide
PubChem CID64913466
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name2-[(2-hydroxycyclohexyl)methylamino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CNCC1CCCCC1O
InChIInChI=1S/C12H24N2O3/c1-17-7-6-14-12(16)9-13-8-10-4-2-3-5-11(10)15/h10-11,13,15H,2-9H2,1H3,(H,14,16)
InChIKeyDKQUIUNCAKZUEK-UHFFFAOYSA-N
XLogP-0.11
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(cyclopropylmethylamino)-N-[(2-hydroxycyclohexyl)methyl]acetamide;hydrochloride
CID 119795423
2-[[(1S,2S)-2-hydroxycyclohexyl]methylamino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 133110814
2-[[(1R,2R)-2-hydroxycyclohexyl]methylamino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 50964588
3-[[2-(cyclopropylmethylamino)acetyl]amino]-N-(2-methoxyethyl)propanamide
CID 112701684
2-[(2-hydroxycyclohexyl)methylamino]-N-propan-2-ylacetamide
CID 64911813
2-[[[2-(2-methoxyethylamino)acetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 79290747
N-[(2-hydroxycyclohexyl)methyl]-2-(methylamino)acetamide
CID 64912652
2-cyclohexyl-N-[2-[[2-(2-methoxyethylamino)acetyl]amino]ethyl]acetamide;hydrochloride
CID 119766819
2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-(2-methoxyethyl)acetamide
CID 54956631
2-(cyclopentylcarbamoylamino)-N-(2-methoxyethyl)acetamide
CID 38170461
2-[(2-hydroxycyclohexyl)methylamino]-N-(4-methylphenyl)acetamide
CID 64911376
N-(2-methoxyethyl)-2-(1-oxaspiro[4.5]decan-2-ylmethylamino)acetamide
CID 102897739

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxycyclohexyl)methylamino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[(2-hydroxycyclohexyl)methylamino]-N-(2-methoxyethyl)acetamide (CID 64913466) is 2-[(2-hydroxycyclohexyl)methylamino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[(2-hydroxycyclohexyl)methylamino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[(2-hydroxycyclohexyl)methylamino]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CNCC1CCCCC1O.
What is the InChIKey of 2-[(2-hydroxycyclohexyl)methylamino]-N-(2-methoxyethyl)acetamide?
The InChIKey is DKQUIUNCAKZUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-17-7-6-14-12(16)9-13-8-10-4-2-3-5-11(10)15/h10-11,13,15H,2-9H2,1H3,(H,14,16).
What are the key properties of 2-[(2-hydroxycyclohexyl)methylamino]-N-(2-methoxyethyl)acetamide?
2-[(2-hydroxycyclohexyl)methylamino]-N-(2-methoxyethyl)acetamide has a molecular weight of 244.33 g/mol, XLogP of -0.11, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxycyclohexyl)methylamino]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 64913466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).