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

C16H24N2O2 — CID 112981162

IUPAC3-methyl-N-[4-(oxolan-2-ylmethylamino)phenyl]butanamide
SMILESCC(C)CC(=O)Nc1ccc(NCC2CCCO2)cc1
InChIInChI=1S/C16H24N2O2/c1-12(2)10-16(19)18-14-7-5-13(6-8-14)17-11-15-4-3-9-20-15/h5-8,12,15,17H,3-4,9-11H2,1-2H3,(H,18,19)
InChIKeyBBOBJUPHGZPDMH-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.26
Rot. Bonds6

About 3-methyl-N-[4-(oxolan-2-ylmethylamino)phenyl]butanamide

3-methyl-N-[4-(oxolan-2-ylmethylamino)phenyl]butanamide (PubChem CID 112981162) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-methyl-N-[4-(oxolan-2-ylmethylamino)phenyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[4-(oxolan-2-ylmethylamino)phenyl]butanamide
PubChem CID112981162
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name3-methyl-N-[4-(oxolan-2-ylmethylamino)phenyl]butanamide
SMILESCC(C)CC(=O)Nc1ccc(NCC2CCCO2)cc1
InChIInChI=1S/C16H24N2O2/c1-12(2)10-16(19)18-14-7-5-13(6-8-14)17-11-15-4-3-9-20-15/h5-8,12,15,17H,3-4,9-11H2,1-2H3,(H,18,19)
InChIKeyBBOBJUPHGZPDMH-UHFFFAOYSA-N
XLogP3.26
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]butanamide
CID 113025362
1-[4-(oxolan-2-ylmethylamino)phenyl]-3-propan-2-ylurea
CID 112981227
N-[4-(oxolan-2-ylmethylamino)phenyl]butanamide
CID 112981160
2-(4-bromophenyl)-N-[4-(oxolan-2-ylmethylamino)phenyl]acetamide
CID 112981222
2-(4-fluorophenyl)-N-[4-(oxolan-2-ylmethylamino)phenyl]acetamide
CID 112981193
(3S)-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N'-(4-propan-2-ylphenyl)pentanediamide
CID 7318082
2-(3-methylphenyl)-N-[4-(oxolan-2-ylmethylamino)phenyl]acetamide
CID 112981217
3-methyl-N-[4-[[2-oxo-2-[3-(oxolan-2-ylmethoxy)anilino]ethyl]amino]phenyl]butanamide
CID 54831706
3-methyl-N-(oxolan-2-ylmethyl)butanamide
CID 3509797
2-(2-bromophenyl)-N-[4-(oxolan-2-ylmethylamino)phenyl]acetamide
CID 112981224
4-(oxolan-2-ylmethylamino)benzamide
CID 43179718
(2R)-4-(4-methylanilino)-4-oxo-2-[[(2R)-oxolan-2-yl]methylamino]butanoic acid
CID 830003

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-(oxolan-2-ylmethylamino)phenyl]butanamide?
The IUPAC name of 3-methyl-N-[4-(oxolan-2-ylmethylamino)phenyl]butanamide (CID 112981162) is 3-methyl-N-[4-(oxolan-2-ylmethylamino)phenyl]butanamide.
What is the SMILES notation for 3-methyl-N-[4-(oxolan-2-ylmethylamino)phenyl]butanamide?
The canonical SMILES for 3-methyl-N-[4-(oxolan-2-ylmethylamino)phenyl]butanamide is CC(C)CC(=O)Nc1ccc(NCC2CCCO2)cc1.
What is the InChIKey of 3-methyl-N-[4-(oxolan-2-ylmethylamino)phenyl]butanamide?
The InChIKey is BBOBJUPHGZPDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12(2)10-16(19)18-14-7-5-13(6-8-14)17-11-15-4-3-9-20-15/h5-8,12,15,17H,3-4,9-11H2,1-2H3,(H,18,19).
What are the key properties of 3-methyl-N-[4-(oxolan-2-ylmethylamino)phenyl]butanamide?
3-methyl-N-[4-(oxolan-2-ylmethylamino)phenyl]butanamide has a molecular weight of 276.38 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-(oxolan-2-ylmethylamino)phenyl]butanamide is sourced from PubChem (CID 112981162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).