N-[4-(4-methyl-N-(4-octoxyphenyl)anilino)phenyl]acetamide

C29H36N2O2 — CID 71261026

IUPACN-[4-(4-methyl-N-(4-octoxyphenyl)anilino)phenyl]acetamide
SMILESCCCCCCCCOc1ccc(N(c2ccc(C)cc2)c2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C29H36N2O2/c1-4-5-6-7-8-9-22-33-29-20-18-28(19-21-29)31(26-14-10-23(2)11-15-26)27-16-12-25(13-17-27)30-24(3)32/h10-21H,4-9,22H2,1-3H3,(H,30,32)
InChIKeyLNVPGUOTHCQOPF-UHFFFAOYSA-N
MW444.62 g/mol
LogP8.16
Rot. Bonds12

About N-[4-(4-methyl-N-(4-octoxyphenyl)anilino)phenyl]acetamide

N-[4-(4-methyl-N-(4-octoxyphenyl)anilino)phenyl]acetamide (PubChem CID 71261026) has the molecular formula C29H36N2O2 and a molecular weight of 444.62 g/mol. Its IUPAC name is N-[4-(4-methyl-N-(4-octoxyphenyl)anilino)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(4-methyl-N-(4-octoxyphenyl)anilino)phenyl]acetamide
PubChem CID71261026
Molecular FormulaC29H36N2O2
Molecular Weight444.62 g/mol
Exact Mass444.28
IUPAC NameN-[4-(4-methyl-N-(4-octoxyphenyl)anilino)phenyl]acetamide
SMILESCCCCCCCCOc1ccc(N(c2ccc(C)cc2)c2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C29H36N2O2/c1-4-5-6-7-8-9-22-33-29-20-18-28(19-21-29)31(26-14-10-23(2)11-15-26)27-16-12-25(13-17-27)30-24(3)32/h10-21H,4-9,22H2,1-3H3,(H,30,32)
InChIKeyLNVPGUOTHCQOPF-UHFFFAOYSA-N
XLogP8.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.62
LogP ≤ 58.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-pentoxybutoxy)phenyl]acetamide
CID 142679131
N-[4-[[4-[(4-hexoxyphenyl)diazenyl]phenyl]diazenyl]phenyl]acetamide
CID 126491954
N-[4-[[(4-hexoxybenzoyl)amino]carbamoyl]phenyl]acetamide
CID 4933763
N-(4-hexoxyphenyl)-3-(4-methylphenyl)prop-2-enamide
CID 4939379
2-(4-butoxyphenoxy)-N-(4-methylphenyl)acetamide
CID 4732728
N-methyl-N-[4-(4-octoxy-N-(4-octoxyphenyl)anilino)phenyl]acetamide
CID 102225702
(2S)-N-(4-butoxyphenyl)-2-(4-methylphenoxy)propanamide
CID 8757338
N-(4-decoxyphenyl)butanamide
CID 143303175
N-[4-[2-(4-methylphenyl)ethoxy]phenyl]acetamide
CID 13017655
1-(4-pentoxyphenyl)ethanone;1,4-xylene
CID 142206673
2-(ethylamino)-N-(4-hexoxyphenyl)acetamide
CID 54821037
4-octoxy-N-[4-[4-(4-octoxy-N-(4-octoxyphenyl)anilino)phenoxy]phenyl]-N-(4-octoxyphenyl)aniline
CID 18996788

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methyl-N-(4-octoxyphenyl)anilino)phenyl]acetamide?
The IUPAC name of N-[4-(4-methyl-N-(4-octoxyphenyl)anilino)phenyl]acetamide (CID 71261026) is N-[4-(4-methyl-N-(4-octoxyphenyl)anilino)phenyl]acetamide.
What is the SMILES notation for N-[4-(4-methyl-N-(4-octoxyphenyl)anilino)phenyl]acetamide?
The canonical SMILES for N-[4-(4-methyl-N-(4-octoxyphenyl)anilino)phenyl]acetamide is CCCCCCCCOc1ccc(N(c2ccc(C)cc2)c2ccc(NC(C)=O)cc2)cc1.
What is the InChIKey of N-[4-(4-methyl-N-(4-octoxyphenyl)anilino)phenyl]acetamide?
The InChIKey is LNVPGUOTHCQOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N2O2/c1-4-5-6-7-8-9-22-33-29-20-18-28(19-21-29)31(26-14-10-23(2)11-15-26)27-16-12-25(13-17-27)30-24(3)32/h10-21H,4-9,22H2,1-3H3,(H,30,32).
What are the key properties of N-[4-(4-methyl-N-(4-octoxyphenyl)anilino)phenyl]acetamide?
N-[4-(4-methyl-N-(4-octoxyphenyl)anilino)phenyl]acetamide has a molecular weight of 444.62 g/mol, XLogP of 8.16, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methyl-N-(4-octoxyphenyl)anilino)phenyl]acetamide is sourced from PubChem (CID 71261026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).