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

C23H31N3O3 — CID 54844927

IUPACN-[2-methyl-3-[[2-[3-(3-methylbutoxy)anilino]-2-oxoethyl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(NCC(=O)Nc2cccc(OCCC(C)C)c2)c1C
InChIInChI=1S/C23H31N3O3/c1-5-22(27)26-21-11-7-10-20(17(21)4)24-15-23(28)25-18-8-6-9-19(14-18)29-13-12-16(2)3/h6-11,14,16,24H,5,12-13,15H2,1-4H3,(H,25,28)(H,26,27)
InChIKeyFXXGTUVMQRBYHP-UHFFFAOYSA-N
MW397.52 g/mol
LogP4.82
Rot. Bonds10

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

N-[2-methyl-3-[[2-[3-(3-methylbutoxy)anilino]-2-oxoethyl]amino]phenyl]propanamide (PubChem CID 54844927) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is N-[2-methyl-3-[[2-[3-(3-methylbutoxy)anilino]-2-oxoethyl]amino]phenyl]propanamide.

Molecular Properties

Compound NameN-[2-methyl-3-[[2-[3-(3-methylbutoxy)anilino]-2-oxoethyl]amino]phenyl]propanamide
PubChem CID54844927
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC NameN-[2-methyl-3-[[2-[3-(3-methylbutoxy)anilino]-2-oxoethyl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(NCC(=O)Nc2cccc(OCCC(C)C)c2)c1C
InChIInChI=1S/C23H31N3O3/c1-5-22(27)26-21-11-7-10-20(17(21)4)24-15-23(28)25-18-8-6-9-19(14-18)29-13-12-16(2)3/h6-11,14,16,24H,5,12-13,15H2,1-4H3,(H,25,28)(H,26,27)
InChIKeyFXXGTUVMQRBYHP-UHFFFAOYSA-N
XLogP4.82
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 ≤ 54.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[2-methyl-3-[[2-[3-(3-methylbutoxy)anilino]-2-oxoethyl]amino]phenyl]propanamide 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-[2-methyl-3-[[2-oxo-2-[3-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]propanamide
CID 54844668
2-(2-chloroanilino)-N-[3-(3-methylbutoxy)phenyl]acetamide
CID 54810371
N-[3-(3-methylbutoxy)phenyl]-2-[2-(2-phenoxyethoxy)anilino]acetamide
CID 54827183
N-[2-methyl-3-[[2-[3-(2-methylpropoxy)anilino]acetyl]amino]phenyl]propanamide
CID 54823522
N-(3-butoxyphenyl)-2-[3-(3-methylbutoxy)anilino]acetamide
CID 54824740
N-[2-methyl-3-[[2-(3-propan-2-yloxyanilino)acetyl]amino]phenyl]propanamide
CID 54830253
N-(2-chlorophenyl)-2-[3-(3-methylbutoxy)anilino]acetamide
CID 54825073
N-[3-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide
CID 54844990
2-(2,5-dimethoxyanilino)-N-[3-(3-methylbutoxy)phenyl]acetamide
CID 54814025
N-(4-butoxyphenyl)-2-[3-(3-methylbutoxy)anilino]acetamide
CID 54824951
N-[2-(2-ethoxyethoxy)phenyl]-2-[3-(3-methylbutoxy)anilino]acetamide
CID 54824535
2-(3,4-dichloroanilino)-N-[3-(3-methylbutoxy)phenyl]acetamide
CID 54811762

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-[[2-[3-(3-methylbutoxy)anilino]-2-oxoethyl]amino]phenyl]propanamide?
The IUPAC name of N-[2-methyl-3-[[2-[3-(3-methylbutoxy)anilino]-2-oxoethyl]amino]phenyl]propanamide (CID 54844927) is N-[2-methyl-3-[[2-[3-(3-methylbutoxy)anilino]-2-oxoethyl]amino]phenyl]propanamide.
What is the SMILES notation for N-[2-methyl-3-[[2-[3-(3-methylbutoxy)anilino]-2-oxoethyl]amino]phenyl]propanamide?
The canonical SMILES for N-[2-methyl-3-[[2-[3-(3-methylbutoxy)anilino]-2-oxoethyl]amino]phenyl]propanamide is CCC(=O)Nc1cccc(NCC(=O)Nc2cccc(OCCC(C)C)c2)c1C.
What is the InChIKey of N-[2-methyl-3-[[2-[3-(3-methylbutoxy)anilino]-2-oxoethyl]amino]phenyl]propanamide?
The InChIKey is FXXGTUVMQRBYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-5-22(27)26-21-11-7-10-20(17(21)4)24-15-23(28)25-18-8-6-9-19(14-18)29-13-12-16(2)3/h6-11,14,16,24H,5,12-13,15H2,1-4H3,(H,25,28)(H,26,27).
What are the key properties of N-[2-methyl-3-[[2-[3-(3-methylbutoxy)anilino]-2-oxoethyl]amino]phenyl]propanamide?
N-[2-methyl-3-[[2-[3-(3-methylbutoxy)anilino]-2-oxoethyl]amino]phenyl]propanamide has a molecular weight of 397.52 g/mol, XLogP of 4.82, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-[[2-[3-(3-methylbutoxy)anilino]-2-oxoethyl]amino]phenyl]propanamide is sourced from PubChem (CID 54844927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).