2-amino-N-[2-[[1-(hydroxymethyl)cyclohexyl]methylamino]-2-oxoethyl]acetamide

C12H23N3O3 — CID 103966753

IUPAC2-amino-N-[2-[[1-(hydroxymethyl)cyclohexyl]methylamino]-2-oxoethyl]acetamide
SMILESNCC(=O)NCC(=O)NCC1(CO)CCCCC1
InChIInChI=1S/C12H23N3O3/c13-6-10(17)14-7-11(18)15-8-12(9-16)4-2-1-3-5-12/h16H,1-9,13H2,(H,14,17)(H,15,18)
InChIKeyADKHAVKRJPFLFK-UHFFFAOYSA-N
MW257.33 g/mol
LogP-0.88
Rot. Bonds6

About 2-amino-N-[2-[[1-(hydroxymethyl)cyclohexyl]methylamino]-2-oxoethyl]acetamide

2-amino-N-[2-[[1-(hydroxymethyl)cyclohexyl]methylamino]-2-oxoethyl]acetamide (PubChem CID 103966753) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-amino-N-[2-[[1-(hydroxymethyl)cyclohexyl]methylamino]-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-[[1-(hydroxymethyl)cyclohexyl]methylamino]-2-oxoethyl]acetamide
PubChem CID103966753
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name2-amino-N-[2-[[1-(hydroxymethyl)cyclohexyl]methylamino]-2-oxoethyl]acetamide
SMILESNCC(=O)NCC(=O)NCC1(CO)CCCCC1
InChIInChI=1S/C12H23N3O3/c13-6-10(17)14-7-11(18)15-8-12(9-16)4-2-1-3-5-12/h16H,1-9,13H2,(H,14,17)(H,15,18)
InChIKeyADKHAVKRJPFLFK-UHFFFAOYSA-N
XLogP-0.88
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 5-0.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[2-oxo-2-[(1-propylcyclopropyl)methylamino]ethyl]acetamide
CID 104872566
1-[[[2-[(2-aminoacetyl)amino]acetyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115450729
2-(cyclopropylamino)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide
CID 112703981
2-amino-N-[(1-ethylcyclopentyl)methyl]acetamide
CID 103797853
2-amino-N-[2-[(1-methylcyclobutyl)methylamino]-2-oxoethyl]acetamide
CID 104872531
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 112699710
2-amino-N-[(1-hydroxycycloheptyl)methyl]acetamide
CID 65122282
N-[[1-(hydroxymethyl)cyclohexyl]methyl]butanamide
CID 110292524
[1-(hydroxymethyl)cyclopentyl]methylcarbamic acid
CID 66597374
methyl N-[[1-(hydroxymethyl)cyclohexyl]methyl]carbamate
CID 110292599
2-(dimethylamino)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide
CID 112699817
1-(aminomethyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]cycloheptane-1-carboxamide
CID 103966787

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[[1-(hydroxymethyl)cyclohexyl]methylamino]-2-oxoethyl]acetamide?
The IUPAC name of 2-amino-N-[2-[[1-(hydroxymethyl)cyclohexyl]methylamino]-2-oxoethyl]acetamide (CID 103966753) is 2-amino-N-[2-[[1-(hydroxymethyl)cyclohexyl]methylamino]-2-oxoethyl]acetamide.
What is the SMILES notation for 2-amino-N-[2-[[1-(hydroxymethyl)cyclohexyl]methylamino]-2-oxoethyl]acetamide?
The canonical SMILES for 2-amino-N-[2-[[1-(hydroxymethyl)cyclohexyl]methylamino]-2-oxoethyl]acetamide is NCC(=O)NCC(=O)NCC1(CO)CCCCC1.
What is the InChIKey of 2-amino-N-[2-[[1-(hydroxymethyl)cyclohexyl]methylamino]-2-oxoethyl]acetamide?
The InChIKey is ADKHAVKRJPFLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c13-6-10(17)14-7-11(18)15-8-12(9-16)4-2-1-3-5-12/h16H,1-9,13H2,(H,14,17)(H,15,18).
What are the key properties of 2-amino-N-[2-[[1-(hydroxymethyl)cyclohexyl]methylamino]-2-oxoethyl]acetamide?
2-amino-N-[2-[[1-(hydroxymethyl)cyclohexyl]methylamino]-2-oxoethyl]acetamide has a molecular weight of 257.33 g/mol, XLogP of -0.88, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[[1-(hydroxymethyl)cyclohexyl]methylamino]-2-oxoethyl]acetamide is sourced from PubChem (CID 103966753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).