methyl N-[2-[acetyl(oxolan-2-ylmethyl)amino]ethyl]carbamate

C11H20N2O4 — CID 113053446

IUPACmethyl N-[2-[acetyl(oxolan-2-ylmethyl)amino]ethyl]carbamate
SMILESCOC(=O)NCCN(CC1CCCO1)C(C)=O
InChIInChI=1S/C11H20N2O4/c1-9(14)13(6-5-12-11(15)16-2)8-10-4-3-7-17-10/h10H,3-8H2,1-2H3,(H,12,15)
InChIKeyUXQNOTQGXHJRQX-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.37
Rot. Bonds5

About methyl N-[2-[acetyl(oxolan-2-ylmethyl)amino]ethyl]carbamate

methyl N-[2-[acetyl(oxolan-2-ylmethyl)amino]ethyl]carbamate (PubChem CID 113053446) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is methyl N-[2-[acetyl(oxolan-2-ylmethyl)amino]ethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[acetyl(oxolan-2-ylmethyl)amino]ethyl]carbamate
PubChem CID113053446
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Namemethyl N-[2-[acetyl(oxolan-2-ylmethyl)amino]ethyl]carbamate
SMILESCOC(=O)NCCN(CC1CCCO1)C(C)=O
InChIInChI=1S/C11H20N2O4/c1-9(14)13(6-5-12-11(15)16-2)8-10-4-3-7-17-10/h10H,3-8H2,1-2H3,(H,12,15)
InChIKeyUXQNOTQGXHJRQX-UHFFFAOYSA-N
XLogP0.37
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[acetyl(oxolan-2-ylmethyl)amino]ethyl]-4-bromobenzamide
CID 113053401
N-[2-[acetyl(oxolan-2-ylmethyl)amino]ethyl]-4-tert-butylbenzamide
CID 113053410
methyl N-[2-(oxolan-2-yl)ethyl]carbamate
CID 110731266
N-[2-[acetyl(oxolan-2-ylmethyl)amino]ethyl]-2-(4-methylphenoxy)acetamide
CID 113053433
3-[acetyl(oxolan-2-ylmethyl)amino]-N,N-diethylpropanamide
CID 113117319
N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-N-(oxolan-2-ylmethyl)acetamide
CID 113053462
3-[acetyl(oxolan-2-ylmethyl)amino]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 113117294
ethyl N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]carbamate
CID 113066185
methyl 3-[3-acetamidopropanoyl(oxolan-2-ylmethyl)amino]propanoate
CID 78964014
N-[2-[(4-ethylphenyl)sulfonylamino]ethyl]-N-(oxolan-2-ylmethyl)acetamide
CID 113053469
N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-N-(oxolan-2-ylmethyl)acetamide
CID 113053499
3-[acetyl(oxolan-2-ylmethyl)amino]-N-(3-phenylpropyl)propanamide
CID 113117320

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[acetyl(oxolan-2-ylmethyl)amino]ethyl]carbamate?
The IUPAC name of methyl N-[2-[acetyl(oxolan-2-ylmethyl)amino]ethyl]carbamate (CID 113053446) is methyl N-[2-[acetyl(oxolan-2-ylmethyl)amino]ethyl]carbamate.
What is the SMILES notation for methyl N-[2-[acetyl(oxolan-2-ylmethyl)amino]ethyl]carbamate?
The canonical SMILES for methyl N-[2-[acetyl(oxolan-2-ylmethyl)amino]ethyl]carbamate is COC(=O)NCCN(CC1CCCO1)C(C)=O.
What is the InChIKey of methyl N-[2-[acetyl(oxolan-2-ylmethyl)amino]ethyl]carbamate?
The InChIKey is UXQNOTQGXHJRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-9(14)13(6-5-12-11(15)16-2)8-10-4-3-7-17-10/h10H,3-8H2,1-2H3,(H,12,15).
What are the key properties of methyl N-[2-[acetyl(oxolan-2-ylmethyl)amino]ethyl]carbamate?
methyl N-[2-[acetyl(oxolan-2-ylmethyl)amino]ethyl]carbamate has a molecular weight of 244.29 g/mol, XLogP of 0.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[acetyl(oxolan-2-ylmethyl)amino]ethyl]carbamate is sourced from PubChem (CID 113053446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).