N-[2-methyl-3-(oxan-3-ylmethylamino)phenyl]propanamide

C16H24N2O2 — CID 63739677

IUPACN-[2-methyl-3-(oxan-3-ylmethylamino)phenyl]propanamide
SMILESCCC(=O)Nc1cccc(NCC2CCCOC2)c1C
InChIInChI=1S/C16H24N2O2/c1-3-16(19)18-15-8-4-7-14(12(15)2)17-10-13-6-5-9-20-11-13/h4,7-8,13,17H,3,5-6,9-11H2,1-2H3,(H,18,19)
InChIKeyQJZNTJJDKBWFFD-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.18
Rot. Bonds5

About N-[2-methyl-3-(oxan-3-ylmethylamino)phenyl]propanamide

N-[2-methyl-3-(oxan-3-ylmethylamino)phenyl]propanamide (PubChem CID 63739677) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[2-methyl-3-(oxan-3-ylmethylamino)phenyl]propanamide.

Molecular Properties

Compound NameN-[2-methyl-3-(oxan-3-ylmethylamino)phenyl]propanamide
PubChem CID63739677
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[2-methyl-3-(oxan-3-ylmethylamino)phenyl]propanamide
SMILESCCC(=O)Nc1cccc(NCC2CCCOC2)c1C
InChIInChI=1S/C16H24N2O2/c1-3-16(19)18-15-8-4-7-14(12(15)2)17-10-13-6-5-9-20-11-13/h4,7-8,13,17H,3,5-6,9-11H2,1-2H3,(H,18,19)
InChIKeyQJZNTJJDKBWFFD-UHFFFAOYSA-N
XLogP3.18
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,2-dimethyl-3-(oxan-3-ylmethylamino)benzamide
CID 63740558
2-methyl-3-(oxan-3-ylmethylamino)benzenesulfonamide
CID 55242224
N-[2-methyl-3-[1-(oxolan-3-yl)ethylamino]phenyl]propanamide
CID 115916565
1-[2-(oxan-3-ylmethylamino)phenyl]ethanol
CID 63739863
methyl 2-methyl-3-(oxolan-3-ylmethylamino)benzoate
CID 43714476
N-(oxan-3-ylmethyl)-2-propylaniline
CID 63737543
2-methyl-3-(oxolan-3-ylmethylamino)benzenesulfonamide
CID 54867006
3-chloro-2,2-dimethyl-N-[2-methyl-3-(propanoylamino)phenyl]propanamide
CID 63680386
N-(oxan-3-ylmethyl)-2-propylsulfonylaniline
CID 61020152
1-[2-methyl-3-(propan-2-ylsulfanylmethyl)phenyl]-3-[[(3S)-oxan-3-yl]methyl]urea
CID 124607773
3-[2-(oxan-3-ylmethylamino)phenoxy]propanamide
CID 63741794
3-[[2-[2-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54837138

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-(oxan-3-ylmethylamino)phenyl]propanamide?
The IUPAC name of N-[2-methyl-3-(oxan-3-ylmethylamino)phenyl]propanamide (CID 63739677) is N-[2-methyl-3-(oxan-3-ylmethylamino)phenyl]propanamide.
What is the SMILES notation for N-[2-methyl-3-(oxan-3-ylmethylamino)phenyl]propanamide?
The canonical SMILES for N-[2-methyl-3-(oxan-3-ylmethylamino)phenyl]propanamide is CCC(=O)Nc1cccc(NCC2CCCOC2)c1C.
What is the InChIKey of N-[2-methyl-3-(oxan-3-ylmethylamino)phenyl]propanamide?
The InChIKey is QJZNTJJDKBWFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-16(19)18-15-8-4-7-14(12(15)2)17-10-13-6-5-9-20-11-13/h4,7-8,13,17H,3,5-6,9-11H2,1-2H3,(H,18,19).
What are the key properties of N-[2-methyl-3-(oxan-3-ylmethylamino)phenyl]propanamide?
N-[2-methyl-3-(oxan-3-ylmethylamino)phenyl]propanamide has a molecular weight of 276.38 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-(oxan-3-ylmethylamino)phenyl]propanamide is sourced from PubChem (CID 63739677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).