2-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide

C13H18N2O3 — CID 119284095

IUPAC2-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
SMILESNCC(=O)Nc1cccc(OCC2CCCO2)c1
InChIInChI=1S/C13H18N2O3/c14-8-13(16)15-10-3-1-4-11(7-10)18-9-12-5-2-6-17-12/h1,3-4,7,12H,2,5-6,8-9,14H2,(H,15,16)
InChIKeyBPWCWGADSPLGOI-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.14
Rot. Bonds5

About 2-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide

2-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide (PubChem CID 119284095) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
PubChem CID119284095
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
SMILESNCC(=O)Nc1cccc(OCC2CCCO2)c1
InChIInChI=1S/C13H18N2O3/c14-8-13(16)15-10-3-1-4-11(7-10)18-9-12-5-2-6-17-12/h1,3-4,7,12H,2,5-6,8-9,14H2,(H,15,16)
InChIKeyBPWCWGADSPLGOI-UHFFFAOYSA-N
XLogP1.14
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide
CID 119284123
3-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide
CID 119713717
2-(methylamino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide;hydrochloride
CID 119713691
2-(4-chlorophenoxy)-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 41444851
2-(ethylamino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54820938
N-naphthalen-2-yl-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54828752
2-[3-(oxolan-2-ylmethoxy)anilino]-N-(3-prop-2-enoxyphenyl)acetamide
CID 54828749
1-cyclopropyl-3-[3-(oxolan-2-ylmethoxy)phenyl]urea
CID 47162446
N-[3-(oxolan-2-ylmethoxy)phenyl]-2-(4-propanoylphenoxy)acetamide
CID 46449164
2-(dipropylamino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54818764
2-(4-bromoanilino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54810968
N-(4-chlorophenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54829242

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide?
The IUPAC name of 2-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide (CID 119284095) is 2-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide.
What is the SMILES notation for 2-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide?
The canonical SMILES for 2-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide is NCC(=O)Nc1cccc(OCC2CCCO2)c1.
What is the InChIKey of 2-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide?
The InChIKey is BPWCWGADSPLGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c14-8-13(16)15-10-3-1-4-11(7-10)18-9-12-5-2-6-17-12/h1,3-4,7,12H,2,5-6,8-9,14H2,(H,15,16).
What are the key properties of 2-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide?
2-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide has a molecular weight of 250.30 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide is sourced from PubChem (CID 119284095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).