methyl N-[2-[2-hydroxypropyl(methyl)amino]acetyl]carbamate

C8H16N2O4 — CID 62335232

IUPACmethyl N-[2-[2-hydroxypropyl(methyl)amino]acetyl]carbamate
SMILESCOC(=O)NC(=O)CN(C)CC(C)O
InChIInChI=1S/C8H16N2O4/c1-6(11)4-10(2)5-7(12)9-8(13)14-3/h6,11H,4-5H2,1-3H3,(H,9,12,13)
InChIKeyNEYFJZHCNQEDES-UHFFFAOYSA-N
MW204.23 g/mol
LogP-0.82
Rot. Bonds4

About methyl N-[2-[2-hydroxypropyl(methyl)amino]acetyl]carbamate

methyl N-[2-[2-hydroxypropyl(methyl)amino]acetyl]carbamate (PubChem CID 62335232) has the molecular formula C8H16N2O4 and a molecular weight of 204.23 g/mol. Its IUPAC name is methyl N-[2-[2-hydroxypropyl(methyl)amino]acetyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[2-hydroxypropyl(methyl)amino]acetyl]carbamate
PubChem CID62335232
Molecular FormulaC8H16N2O4
Molecular Weight204.23 g/mol
Exact Mass204.11
IUPAC Namemethyl N-[2-[2-hydroxypropyl(methyl)amino]acetyl]carbamate
SMILESCOC(=O)NC(=O)CN(C)CC(C)O
InChIInChI=1S/C8H16N2O4/c1-6(11)4-10(2)5-7(12)9-8(13)14-3/h6,11H,4-5H2,1-3H3,(H,9,12,13)
InChIKeyNEYFJZHCNQEDES-UHFFFAOYSA-N
XLogP-0.82
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl N-[2-[3-hydroxybutyl(methyl)amino]acetyl]carbamate
CID 115665851
3-[[2-(ethoxycarbonylamino)-2-oxoethyl]-methylamino]-2-methylpropanoic acid
CID 55007638
N-(butylcarbamoyl)-2-[2-hydroxypropyl(methyl)amino]acetamide
CID 62334696
N-(2-aminoethyl)-2-[2-hydroxypropyl(methyl)amino]acetamide
CID 62332906
2-[2-hydroxypropyl(methyl)amino]-N-methyl-N-propan-2-ylacetamide
CID 62332975
methyl N-[2-[benzyl(methyl)amino]acetyl]carbamate
CID 8900979
2-[2-hydroxypropyl(methyl)amino]-N-(3-propan-2-yloxypropyl)acetamide
CID 55061227
2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(2-methylpropylcarbamoyl)acetamide
CID 62015752
N-(2-cyanoethyl)-2-[2-hydroxypropyl(methyl)amino]acetamide
CID 62333195
N-carbamoyl-2-[3-hydroxybutyl(methyl)amino]acetamide
CID 115665848
methyl N-[2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetyl]carbamate
CID 54903931
methyl N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]carbamate
CID 9221932

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[2-hydroxypropyl(methyl)amino]acetyl]carbamate?
The IUPAC name of methyl N-[2-[2-hydroxypropyl(methyl)amino]acetyl]carbamate (CID 62335232) is methyl N-[2-[2-hydroxypropyl(methyl)amino]acetyl]carbamate.
What is the SMILES notation for methyl N-[2-[2-hydroxypropyl(methyl)amino]acetyl]carbamate?
The canonical SMILES for methyl N-[2-[2-hydroxypropyl(methyl)amino]acetyl]carbamate is COC(=O)NC(=O)CN(C)CC(C)O.
What is the InChIKey of methyl N-[2-[2-hydroxypropyl(methyl)amino]acetyl]carbamate?
The InChIKey is NEYFJZHCNQEDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4/c1-6(11)4-10(2)5-7(12)9-8(13)14-3/h6,11H,4-5H2,1-3H3,(H,9,12,13).
What are the key properties of methyl N-[2-[2-hydroxypropyl(methyl)amino]acetyl]carbamate?
methyl N-[2-[2-hydroxypropyl(methyl)amino]acetyl]carbamate has a molecular weight of 204.23 g/mol, XLogP of -0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[2-hydroxypropyl(methyl)amino]acetyl]carbamate is sourced from PubChem (CID 62335232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).