N-[(3-methoxyoxolan-3-yl)methyl]-2-(propan-2-ylamino)acetamide

C11H22N2O3 — CID 104761435

IUPACN-[(3-methoxyoxolan-3-yl)methyl]-2-(propan-2-ylamino)acetamide
SMILESCOC1(CNC(=O)CNC(C)C)CCOC1
InChIInChI=1S/C11H22N2O3/c1-9(2)12-6-10(14)13-7-11(15-3)4-5-16-8-11/h9,12H,4-8H2,1-3H3,(H,13,14)
InChIKeyDGIQUABVIGQFRE-UHFFFAOYSA-N
MW230.31 g/mol
LogP-0.09
Rot. Bonds6

About N-[(3-methoxyoxolan-3-yl)methyl]-2-(propan-2-ylamino)acetamide

N-[(3-methoxyoxolan-3-yl)methyl]-2-(propan-2-ylamino)acetamide (PubChem CID 104761435) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is N-[(3-methoxyoxolan-3-yl)methyl]-2-(propan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-[(3-methoxyoxolan-3-yl)methyl]-2-(propan-2-ylamino)acetamide
PubChem CID104761435
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC NameN-[(3-methoxyoxolan-3-yl)methyl]-2-(propan-2-ylamino)acetamide
SMILESCOC1(CNC(=O)CNC(C)C)CCOC1
InChIInChI=1S/C11H22N2O3/c1-9(2)12-6-10(14)13-7-11(15-3)4-5-16-8-11/h9,12H,4-8H2,1-3H3,(H,13,14)
InChIKeyDGIQUABVIGQFRE-UHFFFAOYSA-N
XLogP-0.09
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[(3-methoxyoxolan-3-yl)methyl]acetamide
CID 104761415
propan-2-yl N-[(3-methoxyoxolan-3-yl)methyl]carbamate
CID 116657841
(3-methoxyoxolan-3-yl)methylurea
CID 104704481
4-hydroxy-N-[(3-methoxyoxolan-3-yl)methyl]butanamide
CID 104766199
N-[(3-methoxyoxolan-3-yl)methyl]-2-(methylamino)propanamide
CID 104761397
5-[(3-methoxyoxolan-3-yl)methylamino]-5-oxopentanoic acid
CID 104759098
4-amino-N-[(3-methoxyoxolan-3-yl)methyl]butanamide
CID 104761417
N-[(4-hydroxyoxan-4-yl)methyl]-2-(propan-2-ylamino)acetamide
CID 81130209
2-[(3-methoxyoxolan-3-yl)methylamino]propanamide
CID 104704803
2-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]acetic acid
CID 104764175
(2S)-2-amino-N-[(3-methoxyoxolan-3-yl)methyl]-4-methylpentanamide
CID 113450272
N-[(3-methoxyoxolan-3-yl)methyl]-2,2-dimethylpropanamide
CID 104709004

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]-2-(propan-2-ylamino)acetamide?
The IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]-2-(propan-2-ylamino)acetamide (CID 104761435) is N-[(3-methoxyoxolan-3-yl)methyl]-2-(propan-2-ylamino)acetamide.
What is the SMILES notation for N-[(3-methoxyoxolan-3-yl)methyl]-2-(propan-2-ylamino)acetamide?
The canonical SMILES for N-[(3-methoxyoxolan-3-yl)methyl]-2-(propan-2-ylamino)acetamide is COC1(CNC(=O)CNC(C)C)CCOC1.
What is the InChIKey of N-[(3-methoxyoxolan-3-yl)methyl]-2-(propan-2-ylamino)acetamide?
The InChIKey is DGIQUABVIGQFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-9(2)12-6-10(14)13-7-11(15-3)4-5-16-8-11/h9,12H,4-8H2,1-3H3,(H,13,14).
What are the key properties of N-[(3-methoxyoxolan-3-yl)methyl]-2-(propan-2-ylamino)acetamide?
N-[(3-methoxyoxolan-3-yl)methyl]-2-(propan-2-ylamino)acetamide has a molecular weight of 230.31 g/mol, XLogP of -0.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyoxolan-3-yl)methyl]-2-(propan-2-ylamino)acetamide is sourced from PubChem (CID 104761435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).