2-methyl-N-[4-[[2-[4-(3-methylbutoxy)anilino]-2-oxoethyl]amino]phenyl]propanamide

C23H31N3O3 — CID 54830470

IUPAC2-methyl-N-[4-[[2-[4-(3-methylbutoxy)anilino]-2-oxoethyl]amino]phenyl]propanamide
SMILESCC(C)CCOc1ccc(NC(=O)CNc2ccc(NC(=O)C(C)C)cc2)cc1
InChIInChI=1S/C23H31N3O3/c1-16(2)13-14-29-21-11-9-19(10-12-21)25-22(27)15-24-18-5-7-20(8-6-18)26-23(28)17(3)4/h5-12,16-17,24H,13-15H2,1-4H3,(H,25,27)(H,26,28)
InChIKeySMDCLMWQTGZJOE-UHFFFAOYSA-N
MW397.52 g/mol
LogP4.76
Rot. Bonds10

About 2-methyl-N-[4-[[2-[4-(3-methylbutoxy)anilino]-2-oxoethyl]amino]phenyl]propanamide

2-methyl-N-[4-[[2-[4-(3-methylbutoxy)anilino]-2-oxoethyl]amino]phenyl]propanamide (PubChem CID 54830470) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is 2-methyl-N-[4-[[2-[4-(3-methylbutoxy)anilino]-2-oxoethyl]amino]phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-[[2-[4-(3-methylbutoxy)anilino]-2-oxoethyl]amino]phenyl]propanamide
PubChem CID54830470
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC Name2-methyl-N-[4-[[2-[4-(3-methylbutoxy)anilino]-2-oxoethyl]amino]phenyl]propanamide
SMILESCC(C)CCOc1ccc(NC(=O)CNc2ccc(NC(=O)C(C)C)cc2)cc1
InChIInChI=1S/C23H31N3O3/c1-16(2)13-14-29-21-11-9-19(10-12-21)25-22(27)15-24-18-5-7-20(8-6-18)26-23(28)17(3)4/h5-12,16-17,24H,13-15H2,1-4H3,(H,25,27)(H,26,28)
InChIKeySMDCLMWQTGZJOE-UHFFFAOYSA-N
XLogP4.76
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 54.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(3-methylbutoxy)phenyl]-2-(4-propoxyanilino)acetamide
CID 54820417
2-(4-butoxyanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide
CID 54820391
2-methyl-N-[4-[[2-oxo-2-[4-(2-phenoxyethoxy)anilino]ethyl]amino]phenyl]propanamide
CID 54830534
2-(3,5-dimethylanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide
CID 54813449
N-(3,5-dichlorophenyl)-2-[4-(3-methylbutoxy)anilino]acetamide
CID 54821699
2-(3-chloroanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide
CID 54809291
N-tert-butyl-4-[[2-[4-(3-methylbutoxy)anilino]-2-oxoethyl]amino]benzamide
CID 54834708
N-(4-butoxyphenyl)-2-[3-(3-methylbutoxy)anilino]acetamide
CID 54824951
N-[4-(3-methylbutoxy)phenyl]-2-[4-(piperidine-1-carbonyl)anilino]acetamide
CID 54841563
N-(4-butoxyphenyl)-2-[4-(2-methylpropoxy)anilino]acetamide
CID 54820404
2-[4-(2-methoxyethoxy)anilino]-N-[4-(2-methylpropoxy)phenyl]acetamide
CID 54822490
N-[3-[[2-(4-heptoxyanilino)acetyl]amino]phenyl]-2-methylpropanamide
CID 54821435

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[[2-[4-(3-methylbutoxy)anilino]-2-oxoethyl]amino]phenyl]propanamide?
The IUPAC name of 2-methyl-N-[4-[[2-[4-(3-methylbutoxy)anilino]-2-oxoethyl]amino]phenyl]propanamide (CID 54830470) is 2-methyl-N-[4-[[2-[4-(3-methylbutoxy)anilino]-2-oxoethyl]amino]phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-[[2-[4-(3-methylbutoxy)anilino]-2-oxoethyl]amino]phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[4-[[2-[4-(3-methylbutoxy)anilino]-2-oxoethyl]amino]phenyl]propanamide is CC(C)CCOc1ccc(NC(=O)CNc2ccc(NC(=O)C(C)C)cc2)cc1.
What is the InChIKey of 2-methyl-N-[4-[[2-[4-(3-methylbutoxy)anilino]-2-oxoethyl]amino]phenyl]propanamide?
The InChIKey is SMDCLMWQTGZJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-16(2)13-14-29-21-11-9-19(10-12-21)25-22(27)15-24-18-5-7-20(8-6-18)26-23(28)17(3)4/h5-12,16-17,24H,13-15H2,1-4H3,(H,25,27)(H,26,28).
What are the key properties of 2-methyl-N-[4-[[2-[4-(3-methylbutoxy)anilino]-2-oxoethyl]amino]phenyl]propanamide?
2-methyl-N-[4-[[2-[4-(3-methylbutoxy)anilino]-2-oxoethyl]amino]phenyl]propanamide has a molecular weight of 397.52 g/mol, XLogP of 4.76, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[[2-[4-(3-methylbutoxy)anilino]-2-oxoethyl]amino]phenyl]propanamide is sourced from PubChem (CID 54830470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).