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

C15H22N2O3 — CID 119284123

IUPAC4-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide
SMILESNCCCC(=O)Nc1cccc(OCC2CCCO2)c1
InChIInChI=1S/C15H22N2O3/c16-8-2-7-15(18)17-12-4-1-5-13(10-12)20-11-14-6-3-9-19-14/h1,4-5,10,14H,2-3,6-9,11,16H2,(H,17,18)
InChIKeyBHASTDISOWUBHS-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.92
Rot. Bonds7

About 4-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide

4-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide (PubChem CID 119284123) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 4-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide
PubChem CID119284123
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name4-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide
SMILESNCCCC(=O)Nc1cccc(OCC2CCCO2)c1
InChIInChI=1S/C15H22N2O3/c16-8-2-7-15(18)17-12-4-1-5-13(10-12)20-11-14-6-3-9-19-14/h1,4-5,10,14H,2-3,6-9,11,16H2,(H,17,18)
InChIKeyBHASTDISOWUBHS-UHFFFAOYSA-N
XLogP1.92
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 119284095
4-amino-N-[4-(oxolan-2-ylmethoxy)phenyl]butanamide
CID 119283533
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
3-(4-fluorophenyl)sulfanyl-N-[3-(oxolan-2-ylmethoxy)phenyl]propanamide
CID 46802916
2-(ethylamino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54820938
N-[3-(2-aminoethoxy)phenyl]-2-(oxolan-2-yl)acetamide
CID 65152316
2-(4-chloroanilino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54810381
2-[3-(oxolan-2-ylmethoxy)anilino]-N-(3-prop-2-enoxyphenyl)acetamide
CID 54828749
4-(aminomethyl)-N-[3-(oxolan-2-ylmethoxy)phenyl]oxane-4-carboxamide
CID 120922863
4-(2,5-dimethylphenyl)-4-oxo-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]butanamide
CID 38477132

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide?
The IUPAC name of 4-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide (CID 119284123) is 4-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide.
What is the SMILES notation for 4-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide?
The canonical SMILES for 4-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide is NCCCC(=O)Nc1cccc(OCC2CCCO2)c1.
What is the InChIKey of 4-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide?
The InChIKey is BHASTDISOWUBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c16-8-2-7-15(18)17-12-4-1-5-13(10-12)20-11-14-6-3-9-19-14/h1,4-5,10,14H,2-3,6-9,11,16H2,(H,17,18).
What are the key properties of 4-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide?
4-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide has a molecular weight of 278.35 g/mol, XLogP of 1.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide is sourced from PubChem (CID 119284123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).