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

C24H32N2O4 — CID 54828556

IUPACN-[3-(3-methylbutoxy)phenyl]-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
SMILESCC(C)CCOc1cccc(NC(=O)CNc2cccc(OCC3CCCO3)c2)c1
InChIInChI=1S/C24H32N2O4/c1-18(2)11-13-29-21-8-4-7-20(15-21)26-24(27)16-25-19-6-3-9-22(14-19)30-17-23-10-5-12-28-23/h3-4,6-9,14-15,18,23,25H,5,10-13,16-17H2,1-2H3,(H,26,27)
InChIKeyNFPFYLQYWAKGAQ-UHFFFAOYSA-N
MW412.53 g/mol
LogP4.72
Rot. Bonds11

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

N-[3-(3-methylbutoxy)phenyl]-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide (PubChem CID 54828556) has the molecular formula C24H32N2O4 and a molecular weight of 412.53 g/mol. Its IUPAC name is N-[3-(3-methylbutoxy)phenyl]-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide.

Molecular Properties

Compound NameN-[3-(3-methylbutoxy)phenyl]-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
PubChem CID54828556
Molecular FormulaC24H32N2O4
Molecular Weight412.53 g/mol
Exact Mass412.24
IUPAC NameN-[3-(3-methylbutoxy)phenyl]-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
SMILESCC(C)CCOc1cccc(NC(=O)CNc2cccc(OCC3CCCO3)c2)c1
InChIInChI=1S/C24H32N2O4/c1-18(2)11-13-29-21-8-4-7-20(15-21)26-24(27)16-25-19-6-3-9-22(14-19)30-17-23-10-5-12-28-23/h3-4,6-9,14-15,18,23,25H,5,10-13,16-17H2,1-2H3,(H,26,27)
InChIKeyNFPFYLQYWAKGAQ-UHFFFAOYSA-N
XLogP4.72
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-(3-methylbutoxy)phenyl]-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-heptoxyphenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54828366
3-methyl-N-[4-[[2-oxo-2-[3-(oxolan-2-ylmethoxy)anilino]ethyl]amino]phenyl]butanamide
CID 54831706
2-[3-(2-methylpropoxy)anilino]-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54823634
4-[[2-[3-(3-methylbutoxy)anilino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54836756
N-(2,6-dimethylphenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54828585
N-[3-(2-methylprop-2-enoxy)phenyl]-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54828653
N-naphthalen-2-yl-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54828752
2-[3-(oxolan-2-ylmethoxy)anilino]-N-(3-prop-2-enoxyphenyl)acetamide
CID 54828749
N-butan-2-yl-3-[[2-oxo-2-[3-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide
CID 54835219
N-(4-chlorophenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54829242
2-(4-bromoanilino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54810968
2-(4-chloroanilino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54810381

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methylbutoxy)phenyl]-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide?
The IUPAC name of N-[3-(3-methylbutoxy)phenyl]-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide (CID 54828556) is N-[3-(3-methylbutoxy)phenyl]-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide.
What is the SMILES notation for N-[3-(3-methylbutoxy)phenyl]-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide?
The canonical SMILES for N-[3-(3-methylbutoxy)phenyl]-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide is CC(C)CCOc1cccc(NC(=O)CNc2cccc(OCC3CCCO3)c2)c1.
What is the InChIKey of N-[3-(3-methylbutoxy)phenyl]-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide?
The InChIKey is NFPFYLQYWAKGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O4/c1-18(2)11-13-29-21-8-4-7-20(15-21)26-24(27)16-25-19-6-3-9-22(14-19)30-17-23-10-5-12-28-23/h3-4,6-9,14-15,18,23,25H,5,10-13,16-17H2,1-2H3,(H,26,27).
What are the key properties of N-[3-(3-methylbutoxy)phenyl]-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide?
N-[3-(3-methylbutoxy)phenyl]-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide has a molecular weight of 412.53 g/mol, XLogP of 4.72, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methylbutoxy)phenyl]-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide is sourced from PubChem (CID 54828556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).