N-[2-[[2-[2-[2-[4-[4-(2,2-dimethylpropanoyl)phenyl]anilino]-2-oxoethoxy]ethoxy]acetyl]amino]ethyl]-2,2-dimethylpropanamide

C30H41N3O6 — CID 168842021

IUPACN-[2-[[2-[2-[2-[4-[4-(2,2-dimethylpropanoyl)phenyl]anilino]-2-oxoethoxy]ethoxy]acetyl]amino]ethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCNC(=O)COCCOCC(=O)Nc1ccc(-c2ccc(C(=O)C(C)(C)C)cc2)cc1
InChIInChI=1S/C30H41N3O6/c1-29(2,3)27(36)23-9-7-21(8-10-23)22-11-13-24(14-12-22)33-26(35)20-39-18-17-38-19-25(34)31-15-16-32-28(37)30(4,5)6/h7-14H,15-20H2,1-6H3,(H,31,34)(H,32,37)(H,33,35)
InChIKeyJPWPGVLRRJDNQX-UHFFFAOYSA-N
MW539.67 g/mol
LogP3.83
Rot. Bonds13

About N-[2-[[2-[2-[2-[4-[4-(2,2-dimethylpropanoyl)phenyl]anilino]-2-oxoethoxy]ethoxy]acetyl]amino]ethyl]-2,2-dimethylpropanamide

N-[2-[[2-[2-[2-[4-[4-(2,2-dimethylpropanoyl)phenyl]anilino]-2-oxoethoxy]ethoxy]acetyl]amino]ethyl]-2,2-dimethylpropanamide (PubChem CID 168842021) has the molecular formula C30H41N3O6 and a molecular weight of 539.67 g/mol. Its IUPAC name is N-[2-[[2-[2-[2-[4-[4-(2,2-dimethylpropanoyl)phenyl]anilino]-2-oxoethoxy]ethoxy]acetyl]amino]ethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-[[2-[2-[2-[4-[4-(2,2-dimethylpropanoyl)phenyl]anilino]-2-oxoethoxy]ethoxy]acetyl]amino]ethyl]-2,2-dimethylpropanamide
PubChem CID168842021
Molecular FormulaC30H41N3O6
Molecular Weight539.67 g/mol
Exact Mass539.30
IUPAC NameN-[2-[[2-[2-[2-[4-[4-(2,2-dimethylpropanoyl)phenyl]anilino]-2-oxoethoxy]ethoxy]acetyl]amino]ethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCNC(=O)COCCOCC(=O)Nc1ccc(-c2ccc(C(=O)C(C)(C)C)cc2)cc1
InChIInChI=1S/C30H41N3O6/c1-29(2,3)27(36)23-9-7-21(8-10-23)22-11-13-24(14-12-22)33-26(35)20-39-18-17-38-19-25(34)31-15-16-32-28(37)30(4,5)6/h7-14H,15-20H2,1-6H3,(H,31,34)(H,32,37)(H,33,35)
InChIKeyJPWPGVLRRJDNQX-UHFFFAOYSA-N
XLogP3.83
TPSA122.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.67
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-carbamothioylphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]acetamide
CID 115942077
N-butyl-2-[2-(4-methylanilino)-2-oxoethoxy]acetamide
CID 4694962
N-(4-bromophenyl)-2-[2-(methylamino)ethoxy]acetamide
CID 62336625
4-[[2-(2-aminoethoxy)acetyl]amino]-N,N-dimethylbenzamide
CID 79474171
N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]-2-(2-methoxyethoxy)acetamide
CID 108574823
N-[2-[2-[2-(tert-butylamino)-2-oxoethoxy]ethoxy]ethyl]-2,2-dimethylpropanamide
CID 166717971
2-[2-[2-(4-ethoxyanilino)-2-oxoethoxy]ethoxy]-N-(4-ethoxyphenyl)acetamide
CID 101189832
N-[2-(4-bromoanilino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 36899593
4-(2,2-dimethylpropanoylamino)-N-(2-methoxyethyl)benzamide
CID 17218245
2,2-dimethyl-N-[2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]ethyl]propanamide
CID 108540704
2-(2-methoxyethoxy)-N-(4-propylphenyl)acetamide
CID 103606707
4-[[2-(carboxymethoxy)acetyl]amino]benzoic acid
CID 61327264

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-[2-[2-[4-[4-(2,2-dimethylpropanoyl)phenyl]anilino]-2-oxoethoxy]ethoxy]acetyl]amino]ethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-[[2-[2-[2-[4-[4-(2,2-dimethylpropanoyl)phenyl]anilino]-2-oxoethoxy]ethoxy]acetyl]amino]ethyl]-2,2-dimethylpropanamide (CID 168842021) is N-[2-[[2-[2-[2-[4-[4-(2,2-dimethylpropanoyl)phenyl]anilino]-2-oxoethoxy]ethoxy]acetyl]amino]ethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-[[2-[2-[2-[4-[4-(2,2-dimethylpropanoyl)phenyl]anilino]-2-oxoethoxy]ethoxy]acetyl]amino]ethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-[[2-[2-[2-[4-[4-(2,2-dimethylpropanoyl)phenyl]anilino]-2-oxoethoxy]ethoxy]acetyl]amino]ethyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCCNC(=O)COCCOCC(=O)Nc1ccc(-c2ccc(C(=O)C(C)(C)C)cc2)cc1.
What is the InChIKey of N-[2-[[2-[2-[2-[4-[4-(2,2-dimethylpropanoyl)phenyl]anilino]-2-oxoethoxy]ethoxy]acetyl]amino]ethyl]-2,2-dimethylpropanamide?
The InChIKey is JPWPGVLRRJDNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H41N3O6/c1-29(2,3)27(36)23-9-7-21(8-10-23)22-11-13-24(14-12-22)33-26(35)20-39-18-17-38-19-25(34)31-15-16-32-28(37)30(4,5)6/h7-14H,15-20H2,1-6H3,(H,31,34)(H,32,37)(H,33,35).
What are the key properties of N-[2-[[2-[2-[2-[4-[4-(2,2-dimethylpropanoyl)phenyl]anilino]-2-oxoethoxy]ethoxy]acetyl]amino]ethyl]-2,2-dimethylpropanamide?
N-[2-[[2-[2-[2-[4-[4-(2,2-dimethylpropanoyl)phenyl]anilino]-2-oxoethoxy]ethoxy]acetyl]amino]ethyl]-2,2-dimethylpropanamide has a molecular weight of 539.67 g/mol, XLogP of 3.83, 13 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-[2-[2-[4-[4-(2,2-dimethylpropanoyl)phenyl]anilino]-2-oxoethoxy]ethoxy]acetyl]amino]ethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 168842021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).