2-[3-(2-methylpropoxy)anilino]-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide

C23H30N2O4 — CID 54823634

IUPAC2-[3-(2-methylpropoxy)anilino]-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide
SMILESCC(C)COc1cccc(NCC(=O)Nc2ccc(OCC3CCCO3)cc2)c1
InChIInChI=1S/C23H30N2O4/c1-17(2)15-28-21-6-3-5-19(13-21)24-14-23(26)25-18-8-10-20(11-9-18)29-16-22-7-4-12-27-22/h3,5-6,8-11,13,17,22,24H,4,7,12,14-16H2,1-2H3,(H,25,26)
InChIKeyBNMACINRXQUNBJ-UHFFFAOYSA-N
MW398.50 g/mol
LogP4.33
Rot. Bonds10

About 2-[3-(2-methylpropoxy)anilino]-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide

2-[3-(2-methylpropoxy)anilino]-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide (PubChem CID 54823634) has the molecular formula C23H30N2O4 and a molecular weight of 398.50 g/mol. Its IUPAC name is 2-[3-(2-methylpropoxy)anilino]-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[3-(2-methylpropoxy)anilino]-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide
PubChem CID54823634
Molecular FormulaC23H30N2O4
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC Name2-[3-(2-methylpropoxy)anilino]-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide
SMILESCC(C)COc1cccc(NCC(=O)Nc2ccc(OCC3CCCO3)cc2)c1
InChIInChI=1S/C23H30N2O4/c1-17(2)15-28-21-6-3-5-19(13-21)24-14-23(26)25-18-8-10-20(11-9-18)29-16-22-7-4-12-27-22/h3,5-6,8-11,13,17,22,24H,4,7,12,14-16H2,1-2H3,(H,25,26)
InChIKeyBNMACINRXQUNBJ-UHFFFAOYSA-N
XLogP4.33
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-[4-[[2-oxo-2-[3-(oxolan-2-ylmethoxy)anilino]ethyl]amino]phenyl]butanamide
CID 54831706
N-[3-(3-methylbutoxy)phenyl]-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54828556
N-(4-chlorophenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54829242
3-(2-methylpropoxy)-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 17140356
N-(2,6-dimethylphenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54828585
N-naphthalen-2-yl-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54828752
2-(4-bromoanilino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54810968
2-(4-chloroanilino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54810381
N-[3-(2-methylpropoxy)phenyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 54815323
N-[3-(2-methylprop-2-enoxy)phenyl]-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54828653
2-[3-(oxolan-2-ylmethoxy)anilino]-N-(3-prop-2-enoxyphenyl)acetamide
CID 54828749
N-(3-heptoxyphenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54828366

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methylpropoxy)anilino]-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide?
The IUPAC name of 2-[3-(2-methylpropoxy)anilino]-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide (CID 54823634) is 2-[3-(2-methylpropoxy)anilino]-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide.
What is the SMILES notation for 2-[3-(2-methylpropoxy)anilino]-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide?
The canonical SMILES for 2-[3-(2-methylpropoxy)anilino]-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide is CC(C)COc1cccc(NCC(=O)Nc2ccc(OCC3CCCO3)cc2)c1.
What is the InChIKey of 2-[3-(2-methylpropoxy)anilino]-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide?
The InChIKey is BNMACINRXQUNBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4/c1-17(2)15-28-21-6-3-5-19(13-21)24-14-23(26)25-18-8-10-20(11-9-18)29-16-22-7-4-12-27-22/h3,5-6,8-11,13,17,22,24H,4,7,12,14-16H2,1-2H3,(H,25,26).
What are the key properties of 2-[3-(2-methylpropoxy)anilino]-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide?
2-[3-(2-methylpropoxy)anilino]-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide has a molecular weight of 398.50 g/mol, XLogP of 4.33, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methylpropoxy)anilino]-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide is sourced from PubChem (CID 54823634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).