N-[2-(N,3-diacetylanilino)ethyl]-2-(4-methoxyphenyl)acetamide

C21H24N2O4 — CID 113061572

IUPACN-[2-(N,3-diacetylanilino)ethyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCCN(C(C)=O)c2cccc(C(C)=O)c2)cc1
InChIInChI=1S/C21H24N2O4/c1-15(24)18-5-4-6-19(14-18)23(16(2)25)12-11-22-21(26)13-17-7-9-20(27-3)10-8-17/h4-10,14H,11-13H2,1-3H3,(H,22,26)
InChIKeyVPFFRKURXQDVMA-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.61
Rot. Bonds8

About N-[2-(N,3-diacetylanilino)ethyl]-2-(4-methoxyphenyl)acetamide

N-[2-(N,3-diacetylanilino)ethyl]-2-(4-methoxyphenyl)acetamide (PubChem CID 113061572) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is N-[2-(N,3-diacetylanilino)ethyl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(N,3-diacetylanilino)ethyl]-2-(4-methoxyphenyl)acetamide
PubChem CID113061572
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC NameN-[2-(N,3-diacetylanilino)ethyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCCN(C(C)=O)c2cccc(C(C)=O)c2)cc1
InChIInChI=1S/C21H24N2O4/c1-15(24)18-5-4-6-19(14-18)23(16(2)25)12-11-22-21(26)13-17-7-9-20(27-3)10-8-17/h4-10,14H,11-13H2,1-3H3,(H,22,26)
InChIKeyVPFFRKURXQDVMA-UHFFFAOYSA-N
XLogP2.61
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[acetyl-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]amino]benzoate
CID 113061971
N-[2-(N,3-diacetylanilino)ethyl]-2-(3-methylphenyl)acetamide
CID 113061592
N-[2-[N-acetyl-4-(dimethylamino)anilino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 113062185
N-[2-(N-acetyl-3-chloro-4-methylanilino)ethyl]-2-(4-methoxyphenyl)acetamide
CID 113059999
N-[2-(N-acetyl-4-methoxyanilino)ethyl]-2-(4-fluorophenyl)acetamide
CID 113060664
N-[2-(N-acetyl-4-methoxyanilino)ethyl]-2-(3-fluorophenyl)acetamide
CID 113060684
methyl 3-[acetyl-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]amino]benzoate
CID 113176237
N-[2-(N,3-diacetylanilino)ethyl]-2,2-dimethylpropanamide
CID 113061547
N-[2-(N-acetyl-3-methoxyanilino)ethyl]butanamide
CID 113060528
N-[2-(N-acetyl-3,4-dimethoxyanilino)ethyl]-2-(4-fluorophenyl)acetamide
CID 113061315
N-[2-(N-acetyl-3-fluoroanilino)ethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 113062642
N-[2-(N-acetyl-3-methylanilino)ethyl]-2-(4-bromophenyl)acetamide
CID 113057472

Frequently Asked Questions

What is the IUPAC name of N-[2-(N,3-diacetylanilino)ethyl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[2-(N,3-diacetylanilino)ethyl]-2-(4-methoxyphenyl)acetamide (CID 113061572) is N-[2-(N,3-diacetylanilino)ethyl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[2-(N,3-diacetylanilino)ethyl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[2-(N,3-diacetylanilino)ethyl]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)NCCN(C(C)=O)c2cccc(C(C)=O)c2)cc1.
What is the InChIKey of N-[2-(N,3-diacetylanilino)ethyl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is VPFFRKURXQDVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-15(24)18-5-4-6-19(14-18)23(16(2)25)12-11-22-21(26)13-17-7-9-20(27-3)10-8-17/h4-10,14H,11-13H2,1-3H3,(H,22,26).
What are the key properties of N-[2-(N,3-diacetylanilino)ethyl]-2-(4-methoxyphenyl)acetamide?
N-[2-(N,3-diacetylanilino)ethyl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 368.43 g/mol, XLogP of 2.61, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N,3-diacetylanilino)ethyl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 113061572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).