4-amino-N-methyl-N-(oxolan-2-ylmethyl)oxane-4-carboxamide

C12H22N2O3 — CID 115294696

IUPAC4-amino-N-methyl-N-(oxolan-2-ylmethyl)oxane-4-carboxamide
SMILESCN(CC1CCCO1)C(=O)C1(N)CCOCC1
InChIInChI=1S/C12H22N2O3/c1-14(9-10-3-2-6-17-10)11(15)12(13)4-7-16-8-5-12/h10H,2-9,13H2,1H3
InChIKeyWWOWCBKVNIBIOY-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.13
Rot. Bonds3

About 4-amino-N-methyl-N-(oxolan-2-ylmethyl)oxane-4-carboxamide

4-amino-N-methyl-N-(oxolan-2-ylmethyl)oxane-4-carboxamide (PubChem CID 115294696) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 4-amino-N-methyl-N-(oxolan-2-ylmethyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-amino-N-methyl-N-(oxolan-2-ylmethyl)oxane-4-carboxamide
PubChem CID115294696
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name4-amino-N-methyl-N-(oxolan-2-ylmethyl)oxane-4-carboxamide
SMILESCN(CC1CCCO1)C(=O)C1(N)CCOCC1
InChIInChI=1S/C12H22N2O3/c1-14(9-10-3-2-6-17-10)11(15)12(13)4-7-16-8-5-12/h10H,2-9,13H2,1H3
InChIKeyWWOWCBKVNIBIOY-UHFFFAOYSA-N
XLogP0.13
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)oxane-4-carboxamide;hydrochloride
CID 120922145
N,4-dimethyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
CID 63122472
methyl(oxolan-2-ylmethyl)carbamic acid
CID 90935828
1-(4-aminooxan-4-yl)-3-(oxolan-2-yl)propan-1-one
CID 58143477
N-methyl-N-(oxolan-2-ylmethyl)carbamoyl chloride
CID 79887071
4-methoxy-N-methyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
CID 119708795
1-methyl-1-(oxolan-2-ylmethyl)-3-propan-2-ylurea
CID 110749026
N,4-dimethyl-N-(oxan-2-ylmethyl)piperidine-4-carboxamide
CID 55178326
N-methyl-N-(oxolan-2-ylmethyl)-2-propylpyrrolidine-2-carboxamide
CID 106974973
4-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)oxane-4-carboxamide;hydrochloride
CID 120927937
1,3-dimethyl-1-(oxolan-2-ylmethyl)urea
CID 115590472
4-amino-N-methyl-N-(2-methylpropyl)oxane-4-carboxamide
CID 115293667

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-N-(oxolan-2-ylmethyl)oxane-4-carboxamide?
The IUPAC name of 4-amino-N-methyl-N-(oxolan-2-ylmethyl)oxane-4-carboxamide (CID 115294696) is 4-amino-N-methyl-N-(oxolan-2-ylmethyl)oxane-4-carboxamide.
What is the SMILES notation for 4-amino-N-methyl-N-(oxolan-2-ylmethyl)oxane-4-carboxamide?
The canonical SMILES for 4-amino-N-methyl-N-(oxolan-2-ylmethyl)oxane-4-carboxamide is CN(CC1CCCO1)C(=O)C1(N)CCOCC1.
What is the InChIKey of 4-amino-N-methyl-N-(oxolan-2-ylmethyl)oxane-4-carboxamide?
The InChIKey is WWOWCBKVNIBIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-14(9-10-3-2-6-17-10)11(15)12(13)4-7-16-8-5-12/h10H,2-9,13H2,1H3.
What are the key properties of 4-amino-N-methyl-N-(oxolan-2-ylmethyl)oxane-4-carboxamide?
4-amino-N-methyl-N-(oxolan-2-ylmethyl)oxane-4-carboxamide has a molecular weight of 242.32 g/mol, XLogP of 0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-N-(oxolan-2-ylmethyl)oxane-4-carboxamide is sourced from PubChem (CID 115294696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).