N-cyclopropyl-N-ethyl-2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]acetamide

C15H28N2O2 — CID 62552683

IUPACN-cyclopropyl-N-ethyl-2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]acetamide
SMILESCCN(C(=O)CNC1(CO)CCCC(C)C1)C1CC1
InChIInChI=1S/C15H28N2O2/c1-3-17(13-6-7-13)14(19)10-16-15(11-18)8-4-5-12(2)9-15/h12-13,16,18H,3-11H2,1-2H3
InChIKeyOACFJFBOZIXLLK-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.53
Rot. Bonds6

About N-cyclopropyl-N-ethyl-2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]acetamide

N-cyclopropyl-N-ethyl-2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]acetamide (PubChem CID 62552683) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N-cyclopropyl-N-ethyl-2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-ethyl-2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]acetamide
PubChem CID62552683
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC NameN-cyclopropyl-N-ethyl-2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]acetamide
SMILESCCN(C(=O)CNC1(CO)CCCC(C)C1)C1CC1
InChIInChI=1S/C15H28N2O2/c1-3-17(13-6-7-13)14(19)10-16-15(11-18)8-4-5-12(2)9-15/h12-13,16,18H,3-11H2,1-2H3
InChIKeyOACFJFBOZIXLLK-UHFFFAOYSA-N
XLogP1.53
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]acetic acid
CID 55209144
[1-(2,2-dimethylpropylamino)-3-methylcyclohexyl]methanol
CID 62553342
2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]acetonitrile
CID 62553552
methyl 5-[[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]methyl]furan-2-carboxylate
CID 62551826
methyl 4-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]butanoate
CID 62552200
1-[[2-(dimethylamino)-2-oxoethyl]amino]-3-methylcyclohexane-1-carboxylic acid
CID 114991619
methyl 4-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-2-methylbut-2-enoate
CID 103248895
3-[cyclopropyl(ethyl)amino]-3-oxopropanoic acid
CID 62231745
N-[1-(hydroxymethyl)-3-methylcyclohexyl]cyclopropanesulfonamide
CID 64552221
N-cyclopropyl-N-ethyl-2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]acetamide
CID 107865347
3-(ethylamino)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]propanamide
CID 62835204
[1-(2-tert-butylsulfonylethylamino)-3-methylcyclohexyl]methanol
CID 106723632

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-ethyl-2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]acetamide?
The IUPAC name of N-cyclopropyl-N-ethyl-2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]acetamide (CID 62552683) is N-cyclopropyl-N-ethyl-2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]acetamide.
What is the SMILES notation for N-cyclopropyl-N-ethyl-2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]acetamide?
The canonical SMILES for N-cyclopropyl-N-ethyl-2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]acetamide is CCN(C(=O)CNC1(CO)CCCC(C)C1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-ethyl-2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]acetamide?
The InChIKey is OACFJFBOZIXLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-3-17(13-6-7-13)14(19)10-16-15(11-18)8-4-5-12(2)9-15/h12-13,16,18H,3-11H2,1-2H3.
What are the key properties of N-cyclopropyl-N-ethyl-2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]acetamide?
N-cyclopropyl-N-ethyl-2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]acetamide has a molecular weight of 268.40 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-ethyl-2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]acetamide is sourced from PubChem (CID 62552683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).