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

C15H22N2O3 — CID 119283533

IUPAC4-amino-N-[4-(oxolan-2-ylmethoxy)phenyl]butanamide
SMILESNCCCC(=O)Nc1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C15H22N2O3/c16-9-1-4-15(18)17-12-5-7-13(8-6-12)20-11-14-3-2-10-19-14/h5-8,14H,1-4,9-11,16H2,(H,17,18)
InChIKeyMWHAVLLOJJMLJK-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.92
Rot. Bonds7

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

4-amino-N-[4-(oxolan-2-ylmethoxy)phenyl]butanamide (PubChem CID 119283533) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 4-amino-N-[4-(oxolan-2-ylmethoxy)phenyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[4-(oxolan-2-ylmethoxy)phenyl]butanamide
PubChem CID119283533
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name4-amino-N-[4-(oxolan-2-ylmethoxy)phenyl]butanamide
SMILESNCCCC(=O)Nc1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C15H22N2O3/c16-9-1-4-15(18)17-12-5-7-13(8-6-12)20-11-14-3-2-10-19-14/h5-8,14H,1-4,9-11,16H2,(H,17,18)
InChIKeyMWHAVLLOJJMLJK-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

4-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide
CID 119284123
4-amino-N-[4-(oxolan-2-ylmethoxy)phenyl]pentanamide
CID 120559985
1,3-bis[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
CID 41436663
N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]-3-phenylpropanamide
CID 40638862
3-acetamido-N-[4-(oxolan-2-ylmethoxy)phenyl]propanamide
CID 131890314
2-methoxyethyl 4-oxo-4-[4-(oxolan-2-ylmethoxy)anilino]butanoate
CID 17339145
2-(4-chlorophenoxy)-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 9295205
4-(4-fluorophenyl)-4-oxo-N-[4-(oxolan-2-ylmethoxy)phenyl]butanamide
CID 87020615
4-amino-3-methoxy-N-[4-(oxolan-2-ylmethoxy)phenyl]butanamide
CID 120588275
2-(cyclopropylmethylamino)-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 119712735
N-[4-(oxolan-2-ylmethoxy)phenyl]-2-phenoxyacetamide
CID 4957890
N-[[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]carbamothioyl]pentanamide
CID 8543982

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-(oxolan-2-ylmethoxy)phenyl]butanamide?
The IUPAC name of 4-amino-N-[4-(oxolan-2-ylmethoxy)phenyl]butanamide (CID 119283533) is 4-amino-N-[4-(oxolan-2-ylmethoxy)phenyl]butanamide.
What is the SMILES notation for 4-amino-N-[4-(oxolan-2-ylmethoxy)phenyl]butanamide?
The canonical SMILES for 4-amino-N-[4-(oxolan-2-ylmethoxy)phenyl]butanamide is NCCCC(=O)Nc1ccc(OCC2CCCO2)cc1.
What is the InChIKey of 4-amino-N-[4-(oxolan-2-ylmethoxy)phenyl]butanamide?
The InChIKey is MWHAVLLOJJMLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c16-9-1-4-15(18)17-12-5-7-13(8-6-12)20-11-14-3-2-10-19-14/h5-8,14H,1-4,9-11,16H2,(H,17,18).
What are the key properties of 4-amino-N-[4-(oxolan-2-ylmethoxy)phenyl]butanamide?
4-amino-N-[4-(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-[4-(oxolan-2-ylmethoxy)phenyl]butanamide is sourced from PubChem (CID 119283533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).