N-[4-[[2-(2,5-dimethoxyanilino)acetyl]amino]phenyl]-2-methylpropanamide

C20H25N3O4 — CID 54814052

IUPACN-[4-[[2-(2,5-dimethoxyanilino)acetyl]amino]phenyl]-2-methylpropanamide
SMILESCOc1ccc(OC)c(NCC(=O)Nc2ccc(NC(=O)C(C)C)cc2)c1
InChIInChI=1S/C20H25N3O4/c1-13(2)20(25)23-15-7-5-14(6-8-15)22-19(24)12-21-17-11-16(26-3)9-10-18(17)27-4/h5-11,13,21H,12H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyHCFXPPBKRCRDMM-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.35
Rot. Bonds8

About N-[4-[[2-(2,5-dimethoxyanilino)acetyl]amino]phenyl]-2-methylpropanamide

N-[4-[[2-(2,5-dimethoxyanilino)acetyl]amino]phenyl]-2-methylpropanamide (PubChem CID 54814052) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-[4-[[2-(2,5-dimethoxyanilino)acetyl]amino]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[[2-(2,5-dimethoxyanilino)acetyl]amino]phenyl]-2-methylpropanamide
PubChem CID54814052
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC NameN-[4-[[2-(2,5-dimethoxyanilino)acetyl]amino]phenyl]-2-methylpropanamide
SMILESCOc1ccc(OC)c(NCC(=O)Nc2ccc(NC(=O)C(C)C)cc2)c1
InChIInChI=1S/C20H25N3O4/c1-13(2)20(25)23-15-7-5-14(6-8-15)22-19(24)12-21-17-11-16(26-3)9-10-18(17)27-4/h5-11,13,21H,12H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyHCFXPPBKRCRDMM-UHFFFAOYSA-N
XLogP3.35
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[2-(2,5-dimethoxyanilino)acetyl]amino]-N-methylbenzamide
CID 54814140
2-(2,5-dimethoxyanilino)-N-(3-propan-2-yloxyphenyl)acetamide
CID 54813924
2-(2,5-dimethoxyanilino)-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54814050
N-[3-[[2-(2-methoxyanilino)acetyl]amino]phenyl]-2-methylpropanamide
CID 54817318
2-(2,5-dimethoxyanilino)-N-phenylacetamide;2-methylaniline
CID 174411447
2-(2,5-dimethoxyanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 54813974
4-[[2-(2,5-dimethoxyanilino)acetyl]amino]-N-methyl-N-phenylbenzamide
CID 54814112
N-(2,5-dimethoxyphenyl)-2-(3,4,5-trimethoxyanilino)acetamide
CID 51178370
N-benzyl-4-[[2-(2,5-dimethoxyanilino)acetyl]amino]benzamide
CID 54814086
2-(2,5-dimethoxyanilino)-N-[3-(3-methylbutoxy)phenyl]acetamide
CID 54814025
2-[4-(difluoromethoxy)anilino]-N-(2,5-dimethoxyphenyl)acetamide
CID 36585879
2-(5-chloro-2-methoxyanilino)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 26506775

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(2,5-dimethoxyanilino)acetyl]amino]phenyl]-2-methylpropanamide?
The IUPAC name of N-[4-[[2-(2,5-dimethoxyanilino)acetyl]amino]phenyl]-2-methylpropanamide (CID 54814052) is N-[4-[[2-(2,5-dimethoxyanilino)acetyl]amino]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[[2-(2,5-dimethoxyanilino)acetyl]amino]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[4-[[2-(2,5-dimethoxyanilino)acetyl]amino]phenyl]-2-methylpropanamide is COc1ccc(OC)c(NCC(=O)Nc2ccc(NC(=O)C(C)C)cc2)c1.
What is the InChIKey of N-[4-[[2-(2,5-dimethoxyanilino)acetyl]amino]phenyl]-2-methylpropanamide?
The InChIKey is HCFXPPBKRCRDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-13(2)20(25)23-15-7-5-14(6-8-15)22-19(24)12-21-17-11-16(26-3)9-10-18(17)27-4/h5-11,13,21H,12H2,1-4H3,(H,22,24)(H,23,25).
What are the key properties of N-[4-[[2-(2,5-dimethoxyanilino)acetyl]amino]phenyl]-2-methylpropanamide?
N-[4-[[2-(2,5-dimethoxyanilino)acetyl]amino]phenyl]-2-methylpropanamide has a molecular weight of 371.44 g/mol, XLogP of 3.35, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(2,5-dimethoxyanilino)acetyl]amino]phenyl]-2-methylpropanamide is sourced from PubChem (CID 54814052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).