N-[(4-hydroxyoxan-4-yl)methyl]-2-(propan-2-ylamino)acetamide

C11H22N2O3 — CID 81130209

IUPACN-[(4-hydroxyoxan-4-yl)methyl]-2-(propan-2-ylamino)acetamide
SMILESCC(C)NCC(=O)NCC1(O)CCOCC1
InChIInChI=1S/C11H22N2O3/c1-9(2)12-7-10(14)13-8-11(15)3-5-16-6-4-11/h9,12,15H,3-8H2,1-2H3,(H,13,14)
InChIKeyJJWZEUYOXKUUNU-UHFFFAOYSA-N
MW230.31 g/mol
LogP-0.36
Rot. Bonds5

About N-[(4-hydroxyoxan-4-yl)methyl]-2-(propan-2-ylamino)acetamide

N-[(4-hydroxyoxan-4-yl)methyl]-2-(propan-2-ylamino)acetamide (PubChem CID 81130209) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is N-[(4-hydroxyoxan-4-yl)methyl]-2-(propan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-[(4-hydroxyoxan-4-yl)methyl]-2-(propan-2-ylamino)acetamide
PubChem CID81130209
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC NameN-[(4-hydroxyoxan-4-yl)methyl]-2-(propan-2-ylamino)acetamide
SMILESCC(C)NCC(=O)NCC1(O)CCOCC1
InChIInChI=1S/C11H22N2O3/c1-9(2)12-7-10(14)13-8-11(15)3-5-16-6-4-11/h9,12,15H,3-8H2,1-2H3,(H,13,14)
InChIKeyJJWZEUYOXKUUNU-UHFFFAOYSA-N
XLogP-0.36
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[(4-hydroxyoxan-4-yl)methyl]pentanamide
CID 81131323
N-[(3-methoxyoxolan-3-yl)methyl]-2-(propan-2-ylamino)acetamide
CID 104761435
4-[(propan-2-ylamino)methyl]oxepan-4-ol
CID 65080987
propan-2-yl N-[(4-hydroxyoxan-4-yl)methyl]carbamate
CID 81131007
N-[(4-hydroxyoxan-4-yl)methyl]-2-propan-2-yliminopropanamide
CID 123380964
2-(1-aminocyclobutyl)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide
CID 81130546
N-[(4-hydroxyoxan-4-yl)methyl]-2,3,3-trimethylbutanamide
CID 70969174
2-cycloheptyl-N-[(4-hydroxyoxan-4-yl)methyl]acetamide
CID 111825728
N-[(4-hydroxyoxan-4-yl)methyl]-3-(4-propan-2-ylphenyl)butanamide
CID 111486235
3-(ethylamino)-N-[(3-hydroxyoxolan-3-yl)methyl]butanamide
CID 106101375
N-[(3-hydroxyoxolan-3-yl)methyl]-2-propan-2-ylsulfanylacetamide
CID 103848866
2-(2,5-dimethylpyrrolidin-1-yl)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide
CID 136511579

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]-2-(propan-2-ylamino)acetamide?
The IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]-2-(propan-2-ylamino)acetamide (CID 81130209) is N-[(4-hydroxyoxan-4-yl)methyl]-2-(propan-2-ylamino)acetamide.
What is the SMILES notation for N-[(4-hydroxyoxan-4-yl)methyl]-2-(propan-2-ylamino)acetamide?
The canonical SMILES for N-[(4-hydroxyoxan-4-yl)methyl]-2-(propan-2-ylamino)acetamide is CC(C)NCC(=O)NCC1(O)CCOCC1.
What is the InChIKey of N-[(4-hydroxyoxan-4-yl)methyl]-2-(propan-2-ylamino)acetamide?
The InChIKey is JJWZEUYOXKUUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-9(2)12-7-10(14)13-8-11(15)3-5-16-6-4-11/h9,12,15H,3-8H2,1-2H3,(H,13,14).
What are the key properties of N-[(4-hydroxyoxan-4-yl)methyl]-2-(propan-2-ylamino)acetamide?
N-[(4-hydroxyoxan-4-yl)methyl]-2-(propan-2-ylamino)acetamide has a molecular weight of 230.31 g/mol, XLogP of -0.36, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyoxan-4-yl)methyl]-2-(propan-2-ylamino)acetamide is sourced from PubChem (CID 81130209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).