2-(4-methoxyanilino)-N-[2-(4-methoxyanilino)-2-oxoethyl]-2-methylpropanamide

C20H25N3O4 — CID 134917893

IUPAC2-(4-methoxyanilino)-N-[2-(4-methoxyanilino)-2-oxoethyl]-2-methylpropanamide
SMILESCOc1ccc(NC(=O)CNC(=O)C(C)(C)Nc2ccc(OC)cc2)cc1
InChIInChI=1S/C20H25N3O4/c1-20(2,23-15-7-11-17(27-4)12-8-15)19(25)21-13-18(24)22-14-5-9-16(26-3)10-6-14/h5-12,23H,13H2,1-4H3,(H,21,25)(H,22,24)
InChIKeyLHDYELIFCGGMGY-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.65
Rot. Bonds8

About 2-(4-methoxyanilino)-N-[2-(4-methoxyanilino)-2-oxoethyl]-2-methylpropanamide

2-(4-methoxyanilino)-N-[2-(4-methoxyanilino)-2-oxoethyl]-2-methylpropanamide (PubChem CID 134917893) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-(4-methoxyanilino)-N-[2-(4-methoxyanilino)-2-oxoethyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-methoxyanilino)-N-[2-(4-methoxyanilino)-2-oxoethyl]-2-methylpropanamide
PubChem CID134917893
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Name2-(4-methoxyanilino)-N-[2-(4-methoxyanilino)-2-oxoethyl]-2-methylpropanamide
SMILESCOc1ccc(NC(=O)CNC(=O)C(C)(C)Nc2ccc(OC)cc2)cc1
InChIInChI=1S/C20H25N3O4/c1-20(2,23-15-7-11-17(27-4)12-8-15)19(25)21-13-18(24)22-14-5-9-16(26-3)10-6-14/h5-12,23H,13H2,1-4H3,(H,21,25)(H,22,24)
InChIKeyLHDYELIFCGGMGY-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-methoxyanilino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 771979
[2-(4-methoxyanilino)-2-oxoethyl]carbamic acid
CID 67025275
2-(tert-butylamino)-N-(4-methoxyphenyl)acetamide
CID 27149891
N-[2-(4-methoxyanilino)-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
CID 112998708
N-[2-(4-methoxyanilino)-2-oxoethyl]nonanamide
CID 5172800
2-(4-methoxyanilino)-N-phenylacetamide
CID 7636829
2-(ethylamino)-N-(4-methoxyphenyl)acetamide
CID 2113294
N-[2-(4-methoxyanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 18104528
N,N'-bis(4-methoxyphenyl)dodecanediamide
CID 5187461
2,2-dimethyl-N-[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]propanamide
CID 112999062
2-(4-hydroxyphenyl)-N-[2-(4-methoxyanilino)-2-oxoethyl]acetamide
CID 122191191
2-[(3,4-dimethylphenyl)carbamoylamino]-N-(4-methoxyphenyl)acetamide
CID 42766024

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyanilino)-N-[2-(4-methoxyanilino)-2-oxoethyl]-2-methylpropanamide?
The IUPAC name of 2-(4-methoxyanilino)-N-[2-(4-methoxyanilino)-2-oxoethyl]-2-methylpropanamide (CID 134917893) is 2-(4-methoxyanilino)-N-[2-(4-methoxyanilino)-2-oxoethyl]-2-methylpropanamide.
What is the SMILES notation for 2-(4-methoxyanilino)-N-[2-(4-methoxyanilino)-2-oxoethyl]-2-methylpropanamide?
The canonical SMILES for 2-(4-methoxyanilino)-N-[2-(4-methoxyanilino)-2-oxoethyl]-2-methylpropanamide is COc1ccc(NC(=O)CNC(=O)C(C)(C)Nc2ccc(OC)cc2)cc1.
What is the InChIKey of 2-(4-methoxyanilino)-N-[2-(4-methoxyanilino)-2-oxoethyl]-2-methylpropanamide?
The InChIKey is LHDYELIFCGGMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-20(2,23-15-7-11-17(27-4)12-8-15)19(25)21-13-18(24)22-14-5-9-16(26-3)10-6-14/h5-12,23H,13H2,1-4H3,(H,21,25)(H,22,24).
What are the key properties of 2-(4-methoxyanilino)-N-[2-(4-methoxyanilino)-2-oxoethyl]-2-methylpropanamide?
2-(4-methoxyanilino)-N-[2-(4-methoxyanilino)-2-oxoethyl]-2-methylpropanamide has a molecular weight of 371.44 g/mol, XLogP of 2.65, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyanilino)-N-[2-(4-methoxyanilino)-2-oxoethyl]-2-methylpropanamide is sourced from PubChem (CID 134917893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).