2-amino-N-[2-[[2-(hydroxymethyl)cyclohexyl]amino]-2-oxoethyl]acetamide

C11H21N3O3 — CID 114178743

IUPAC2-amino-N-[2-[[2-(hydroxymethyl)cyclohexyl]amino]-2-oxoethyl]acetamide
SMILESNCC(=O)NCC(=O)NC1CCCCC1CO
InChIInChI=1S/C11H21N3O3/c12-5-10(16)13-6-11(17)14-9-4-2-1-3-8(9)7-15/h8-9,15H,1-7,12H2,(H,13,16)(H,14,17)
InChIKeyHDQBVDQYGSZATF-UHFFFAOYSA-N
MW243.31 g/mol
LogP-1.27
Rot. Bonds5

About 2-amino-N-[2-[[2-(hydroxymethyl)cyclohexyl]amino]-2-oxoethyl]acetamide

2-amino-N-[2-[[2-(hydroxymethyl)cyclohexyl]amino]-2-oxoethyl]acetamide (PubChem CID 114178743) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-amino-N-[2-[[2-(hydroxymethyl)cyclohexyl]amino]-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-[[2-(hydroxymethyl)cyclohexyl]amino]-2-oxoethyl]acetamide
PubChem CID114178743
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name2-amino-N-[2-[[2-(hydroxymethyl)cyclohexyl]amino]-2-oxoethyl]acetamide
SMILESNCC(=O)NCC(=O)NC1CCCCC1CO
InChIInChI=1S/C11H21N3O3/c12-5-10(16)13-6-11(17)14-9-4-2-1-3-8(9)7-15/h8-9,15H,1-7,12H2,(H,13,16)(H,14,17)
InChIKeyHDQBVDQYGSZATF-UHFFFAOYSA-N
XLogP-1.27
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 5-1.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[2-[[2-(hydroxymethyl)cyclopentyl]amino]-2-oxoethyl]acetamide
CID 104872494
N-[2-[[(1S,2R)-2-(hydroxymethyl)cyclohexyl]amino]-2-oxoethyl]-3,3-dimethylbutanamide
CID 97235341
N-[2-[[(1R,2S)-2-(hydroxymethyl)cyclohexyl]amino]-2-oxoethyl]-3,3-dimethylbutanamide
CID 97235338
2-(tert-butylamino)-N-[2-(hydroxymethyl)cyclohexyl]acetamide
CID 103860522
2-acetamido-N-[2-(aminomethyl)cyclohexyl]acetamide;hydrochloride
CID 119610509
4-[[2-(hydroxymethyl)cyclohexyl]amino]-4-oxobutanoic acid
CID 106359284
[(1R,2R)-2-(hydroxymethyl)cyclohexyl]carbamic acid
CID 141194189
2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]acetamide
CID 43515302
[(1R,2S)-2-(hydroxymethyl)cyclopentyl]urea
CID 131092066
N-[2-[[2-(aminomethyl)cyclohexyl]amino]-2-oxoethyl]-4-methylpentanamide;hydrochloride
CID 119609925
N-[2-(hydroxymethyl)cyclohexyl]cyclooctanecarboxamide
CID 103860474
2-cyclohexyl-N-[2-(hydroxymethyl)cyclopentyl]acetamide
CID 103751275

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[[2-(hydroxymethyl)cyclohexyl]amino]-2-oxoethyl]acetamide?
The IUPAC name of 2-amino-N-[2-[[2-(hydroxymethyl)cyclohexyl]amino]-2-oxoethyl]acetamide (CID 114178743) is 2-amino-N-[2-[[2-(hydroxymethyl)cyclohexyl]amino]-2-oxoethyl]acetamide.
What is the SMILES notation for 2-amino-N-[2-[[2-(hydroxymethyl)cyclohexyl]amino]-2-oxoethyl]acetamide?
The canonical SMILES for 2-amino-N-[2-[[2-(hydroxymethyl)cyclohexyl]amino]-2-oxoethyl]acetamide is NCC(=O)NCC(=O)NC1CCCCC1CO.
What is the InChIKey of 2-amino-N-[2-[[2-(hydroxymethyl)cyclohexyl]amino]-2-oxoethyl]acetamide?
The InChIKey is HDQBVDQYGSZATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c12-5-10(16)13-6-11(17)14-9-4-2-1-3-8(9)7-15/h8-9,15H,1-7,12H2,(H,13,16)(H,14,17).
What are the key properties of 2-amino-N-[2-[[2-(hydroxymethyl)cyclohexyl]amino]-2-oxoethyl]acetamide?
2-amino-N-[2-[[2-(hydroxymethyl)cyclohexyl]amino]-2-oxoethyl]acetamide has a molecular weight of 243.31 g/mol, XLogP of -1.27, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[[2-(hydroxymethyl)cyclohexyl]amino]-2-oxoethyl]acetamide is sourced from PubChem (CID 114178743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).