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

C15H22N2O3 — CID 119713717

IUPAC3-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide
SMILESCC(N)CC(=O)Nc1cccc(OCC2CCCO2)c1
InChIInChI=1S/C15H22N2O3/c1-11(16)8-15(18)17-12-4-2-5-13(9-12)20-10-14-6-3-7-19-14/h2,4-5,9,11,14H,3,6-8,10,16H2,1H3,(H,17,18)
InChIKeyPKAHSQHHDFRZEB-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.92
Rot. Bonds6

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

3-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide (PubChem CID 119713717) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 3-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide.

Molecular Properties

Compound Name3-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide
PubChem CID119713717
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name3-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide
SMILESCC(N)CC(=O)Nc1cccc(OCC2CCCO2)c1
InChIInChI=1S/C15H22N2O3/c1-11(16)8-15(18)17-12-4-2-5-13(9-12)20-10-14-6-3-7-19-14/h2,4-5,9,11,14H,3,6-8,10,16H2,1H3,(H,17,18)
InChIKeyPKAHSQHHDFRZEB-UHFFFAOYSA-N
XLogP1.92
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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
3-methyl-N-[4-[[2-oxo-2-[3-(oxolan-2-ylmethoxy)anilino]ethyl]amino]phenyl]butanamide
CID 54831706
4-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide
CID 119284123
2-(methylamino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide;hydrochloride
CID 119713691
2-(ethylamino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54820938
N-[3-(3-methylbutoxy)phenyl]-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54828556
2-(dipropylamino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54818764
3-acetamido-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 46802911
2-amino-4-methylsulfanyl-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide;hydrochloride
CID 119284120
1-cyclopropyl-3-[3-(oxolan-2-ylmethoxy)phenyl]urea
CID 47162446
2-(4-chlorophenoxy)-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 41444851
2-(2,4-dimethylphenoxy)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 17141795

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide?
The IUPAC name of 3-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide (CID 119713717) is 3-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide.
What is the SMILES notation for 3-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide?
The canonical SMILES for 3-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide is CC(N)CC(=O)Nc1cccc(OCC2CCCO2)c1.
What is the InChIKey of 3-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide?
The InChIKey is PKAHSQHHDFRZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11(16)8-15(18)17-12-4-2-5-13(9-12)20-10-14-6-3-7-19-14/h2,4-5,9,11,14H,3,6-8,10,16H2,1H3,(H,17,18).
What are the key properties of 3-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide?
3-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide has a molecular weight of 278.35 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide is sourced from PubChem (CID 119713717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).