N-ethyl-2-[(1-hydroxycycloheptyl)methylamino]acetamide

C12H24N2O2 — CID 60909353

IUPACN-ethyl-2-[(1-hydroxycycloheptyl)methylamino]acetamide
SMILESCCNC(=O)CNCC1(O)CCCCCC1
InChIInChI=1S/C12H24N2O2/c1-2-14-11(15)9-13-10-12(16)7-5-3-4-6-8-12/h13,16H,2-10H2,1H3,(H,14,15)
InChIKeyPQAIBXIJABVQCC-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.80
Rot. Bonds5

About N-ethyl-2-[(1-hydroxycycloheptyl)methylamino]acetamide

N-ethyl-2-[(1-hydroxycycloheptyl)methylamino]acetamide (PubChem CID 60909353) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-ethyl-2-[(1-hydroxycycloheptyl)methylamino]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[(1-hydroxycycloheptyl)methylamino]acetamide
PubChem CID60909353
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-ethyl-2-[(1-hydroxycycloheptyl)methylamino]acetamide
SMILESCCNC(=O)CNCC1(O)CCCCCC1
InChIInChI=1S/C12H24N2O2/c1-2-14-11(15)9-13-10-12(16)7-5-3-4-6-8-12/h13,16H,2-10H2,1H3,(H,14,15)
InChIKeyPQAIBXIJABVQCC-UHFFFAOYSA-N
XLogP0.80
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylmethyl)-2-[(1-hydroxycyclohexyl)methylamino]acetamide
CID 65108692
N-[(1-hydroxycyclopentyl)methyl]-2-(propylamino)acetamide
CID 65106366
N-(cyclopropylmethyl)-2-[(1-hydroxycyclopentyl)methylamino]acetamide
CID 65109211
N-benzyl-2-[(1-hydroxycycloheptyl)methylamino]acetamide
CID 60971311
N-[2-[(1-hydroxycyclobutyl)methylamino]-2-oxoethyl]butanamide
CID 111445246
2-[(1-hydroxycycloheptyl)methylamino]-N-phenylacetamide
CID 65122153
N-[(1-hydroxycyclobutyl)methyl]-2-(1-hydroxycyclohexyl)acetamide
CID 111539371
1-cyano-N-[2-(ethylamino)-2-oxoethyl]cyclohexane-1-carboxamide
CID 61461650
2-(ethylamino)-N-[[1-(2-oxoethyl)cyclohexyl]methyl]acetamide
CID 89090089
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-(propylamino)acetamide
CID 65120371
N-(4-bromophenyl)-2-[(1-hydroxycycloheptyl)methylamino]acetamide
CID 65122968
N-[(1-hydroxycycloheptyl)methyl]-2-[(1S,3S)-3-methylcyclohexyl]acetamide
CID 99809445

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(1-hydroxycycloheptyl)methylamino]acetamide?
The IUPAC name of N-ethyl-2-[(1-hydroxycycloheptyl)methylamino]acetamide (CID 60909353) is N-ethyl-2-[(1-hydroxycycloheptyl)methylamino]acetamide.
What is the SMILES notation for N-ethyl-2-[(1-hydroxycycloheptyl)methylamino]acetamide?
The canonical SMILES for N-ethyl-2-[(1-hydroxycycloheptyl)methylamino]acetamide is CCNC(=O)CNCC1(O)CCCCCC1.
What is the InChIKey of N-ethyl-2-[(1-hydroxycycloheptyl)methylamino]acetamide?
The InChIKey is PQAIBXIJABVQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-2-14-11(15)9-13-10-12(16)7-5-3-4-6-8-12/h13,16H,2-10H2,1H3,(H,14,15).
What are the key properties of N-ethyl-2-[(1-hydroxycycloheptyl)methylamino]acetamide?
N-ethyl-2-[(1-hydroxycycloheptyl)methylamino]acetamide has a molecular weight of 228.34 g/mol, XLogP of 0.80, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(1-hydroxycycloheptyl)methylamino]acetamide is sourced from PubChem (CID 60909353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).