N-[4-(oxolan-2-ylmethylamino)phenyl]butanamide

C15H22N2O2 — CID 112981160

IUPACN-[4-(oxolan-2-ylmethylamino)phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(NCC2CCCO2)cc1
InChIInChI=1S/C15H22N2O2/c1-2-4-15(18)17-13-8-6-12(7-9-13)16-11-14-5-3-10-19-14/h6-9,14,16H,2-5,10-11H2,1H3,(H,17,18)
InChIKeyQUGFRRCMBAYGNR-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.02
Rot. Bonds6

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

N-[4-(oxolan-2-ylmethylamino)phenyl]butanamide (PubChem CID 112981160) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-[4-(oxolan-2-ylmethylamino)phenyl]butanamide.

Molecular Properties

Compound NameN-[4-(oxolan-2-ylmethylamino)phenyl]butanamide
PubChem CID112981160
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-[4-(oxolan-2-ylmethylamino)phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(NCC2CCCO2)cc1
InChIInChI=1S/C15H22N2O2/c1-2-4-15(18)17-13-8-6-12(7-9-13)16-11-14-5-3-10-19-14/h6-9,14,16H,2-5,10-11H2,1H3,(H,17,18)
InChIKeyQUGFRRCMBAYGNR-UHFFFAOYSA-N
XLogP3.02
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[[(2R)-oxolan-2-yl]methylamino]phenyl]butan-1-one
CID 25127473
4-(butanoylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 1292661
3-methyl-N-[4-(oxolan-2-ylmethylamino)phenyl]butanamide
CID 112981162
N-[4-(oxolan-2-ylmethylamino)phenyl]-3-phenoxypropanamide
CID 112981200
1-[4-(oxolan-2-ylmethylamino)phenyl]-3-propan-2-ylurea
CID 112981227
2-(4-fluorophenyl)-N-[4-(oxolan-2-ylmethylamino)phenyl]acetamide
CID 112981193
2-(4-bromophenyl)-N-[4-(oxolan-2-ylmethylamino)phenyl]acetamide
CID 112981222
N-[3-[[2-(oxolan-2-ylmethylamino)acetyl]amino]phenyl]butanamide
CID 54815821
N-(4-ethylphenyl)-3-(oxolan-2-ylmethylamino)propanamide
CID 109016072
2-(3-methylphenyl)-N-[4-(oxolan-2-ylmethylamino)phenyl]acetamide
CID 112981217
2-(2-bromophenyl)-N-[4-(oxolan-2-ylmethylamino)phenyl]acetamide
CID 112981224
4-(oxolan-2-ylmethylamino)benzamide
CID 43179718

Frequently Asked Questions

What is the IUPAC name of N-[4-(oxolan-2-ylmethylamino)phenyl]butanamide?
The IUPAC name of N-[4-(oxolan-2-ylmethylamino)phenyl]butanamide (CID 112981160) is N-[4-(oxolan-2-ylmethylamino)phenyl]butanamide.
What is the SMILES notation for N-[4-(oxolan-2-ylmethylamino)phenyl]butanamide?
The canonical SMILES for N-[4-(oxolan-2-ylmethylamino)phenyl]butanamide is CCCC(=O)Nc1ccc(NCC2CCCO2)cc1.
What is the InChIKey of N-[4-(oxolan-2-ylmethylamino)phenyl]butanamide?
The InChIKey is QUGFRRCMBAYGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-2-4-15(18)17-13-8-6-12(7-9-13)16-11-14-5-3-10-19-14/h6-9,14,16H,2-5,10-11H2,1H3,(H,17,18).
What are the key properties of N-[4-(oxolan-2-ylmethylamino)phenyl]butanamide?
N-[4-(oxolan-2-ylmethylamino)phenyl]butanamide has a molecular weight of 262.35 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(oxolan-2-ylmethylamino)phenyl]butanamide is sourced from PubChem (CID 112981160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).