3-methyl-N-[4-[[2-oxo-2-[3-(oxolan-2-ylmethoxy)anilino]ethyl]amino]phenyl]butanamide

C24H31N3O4 — CID 54831706

IUPAC3-methyl-N-[4-[[2-oxo-2-[3-(oxolan-2-ylmethoxy)anilino]ethyl]amino]phenyl]butanamide
SMILESCC(C)CC(=O)Nc1ccc(NCC(=O)Nc2cccc(OCC3CCCO3)c2)cc1
InChIInChI=1S/C24H31N3O4/c1-17(2)13-23(28)26-19-10-8-18(9-11-19)25-15-24(29)27-20-5-3-6-21(14-20)31-16-22-7-4-12-30-22/h3,5-6,8-11,14,17,22,25H,4,7,12-13,15-16H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyQGUGSAYGCVPAMV-UHFFFAOYSA-N
MW425.53 g/mol
LogP4.28
Rot. Bonds10

About 3-methyl-N-[4-[[2-oxo-2-[3-(oxolan-2-ylmethoxy)anilino]ethyl]amino]phenyl]butanamide

3-methyl-N-[4-[[2-oxo-2-[3-(oxolan-2-ylmethoxy)anilino]ethyl]amino]phenyl]butanamide (PubChem CID 54831706) has the molecular formula C24H31N3O4 and a molecular weight of 425.53 g/mol. Its IUPAC name is 3-methyl-N-[4-[[2-oxo-2-[3-(oxolan-2-ylmethoxy)anilino]ethyl]amino]phenyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[4-[[2-oxo-2-[3-(oxolan-2-ylmethoxy)anilino]ethyl]amino]phenyl]butanamide
PubChem CID54831706
Molecular FormulaC24H31N3O4
Molecular Weight425.53 g/mol
Exact Mass425.23
IUPAC Name3-methyl-N-[4-[[2-oxo-2-[3-(oxolan-2-ylmethoxy)anilino]ethyl]amino]phenyl]butanamide
SMILESCC(C)CC(=O)Nc1ccc(NCC(=O)Nc2cccc(OCC3CCCO3)c2)cc1
InChIInChI=1S/C24H31N3O4/c1-17(2)13-23(28)26-19-10-8-18(9-11-19)25-15-24(29)27-20-5-3-6-21(14-20)31-16-22-7-4-12-30-22/h3,5-6,8-11,14,17,22,25H,4,7,12-13,15-16H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyQGUGSAYGCVPAMV-UHFFFAOYSA-N
XLogP4.28
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-methyl-N-[4-[[2-oxo-2-[3-(oxolan-2-ylmethoxy)anilino]ethyl]amino]phenyl]butanamide with MolForge

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Related Compounds

2-[3-(2-methylpropoxy)anilino]-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54823634
N-[3-(3-methylbutoxy)phenyl]-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54828556
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-butan-2-yl-4-[[2-oxo-2-[3-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide
CID 54834406
N-(4-chlorophenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54829242
3-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide
CID 119713717
N-ethyl-4-[[2-oxo-2-[3-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide
CID 54839143
N-naphthalen-2-yl-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54828752
N-(2,6-dimethylphenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54828585
2-(methylamino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide;hydrochloride
CID 119713691
N-[3-(2-methylprop-2-enoxy)phenyl]-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54828653

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-[[2-oxo-2-[3-(oxolan-2-ylmethoxy)anilino]ethyl]amino]phenyl]butanamide?
The IUPAC name of 3-methyl-N-[4-[[2-oxo-2-[3-(oxolan-2-ylmethoxy)anilino]ethyl]amino]phenyl]butanamide (CID 54831706) is 3-methyl-N-[4-[[2-oxo-2-[3-(oxolan-2-ylmethoxy)anilino]ethyl]amino]phenyl]butanamide.
What is the SMILES notation for 3-methyl-N-[4-[[2-oxo-2-[3-(oxolan-2-ylmethoxy)anilino]ethyl]amino]phenyl]butanamide?
The canonical SMILES for 3-methyl-N-[4-[[2-oxo-2-[3-(oxolan-2-ylmethoxy)anilino]ethyl]amino]phenyl]butanamide is CC(C)CC(=O)Nc1ccc(NCC(=O)Nc2cccc(OCC3CCCO3)c2)cc1.
What is the InChIKey of 3-methyl-N-[4-[[2-oxo-2-[3-(oxolan-2-ylmethoxy)anilino]ethyl]amino]phenyl]butanamide?
The InChIKey is QGUGSAYGCVPAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4/c1-17(2)13-23(28)26-19-10-8-18(9-11-19)25-15-24(29)27-20-5-3-6-21(14-20)31-16-22-7-4-12-30-22/h3,5-6,8-11,14,17,22,25H,4,7,12-13,15-16H2,1-2H3,(H,26,28)(H,27,29).
What are the key properties of 3-methyl-N-[4-[[2-oxo-2-[3-(oxolan-2-ylmethoxy)anilino]ethyl]amino]phenyl]butanamide?
3-methyl-N-[4-[[2-oxo-2-[3-(oxolan-2-ylmethoxy)anilino]ethyl]amino]phenyl]butanamide has a molecular weight of 425.53 g/mol, XLogP of 4.28, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-[[2-oxo-2-[3-(oxolan-2-ylmethoxy)anilino]ethyl]amino]phenyl]butanamide is sourced from PubChem (CID 54831706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).