N-(2-butoxyphenyl)-2-(4-heptoxyanilino)acetamide

C25H36N2O3 — CID 54822084

IUPACN-(2-butoxyphenyl)-2-(4-heptoxyanilino)acetamide
SMILESCCCCCCCOc1ccc(NCC(=O)Nc2ccccc2OCCCC)cc1
InChIInChI=1S/C25H36N2O3/c1-3-5-7-8-11-19-29-22-16-14-21(15-17-22)26-20-25(28)27-23-12-9-10-13-24(23)30-18-6-4-2/h9-10,12-17,26H,3-8,11,18-20H2,1-2H3,(H,27,28)
InChIKeyCMWGNFXELHOTQW-UHFFFAOYSA-N
MW412.57 g/mol
LogP6.27
Rot. Bonds15

About N-(2-butoxyphenyl)-2-(4-heptoxyanilino)acetamide

N-(2-butoxyphenyl)-2-(4-heptoxyanilino)acetamide (PubChem CID 54822084) has the molecular formula C25H36N2O3 and a molecular weight of 412.57 g/mol. Its IUPAC name is N-(2-butoxyphenyl)-2-(4-heptoxyanilino)acetamide.

Molecular Properties

Compound NameN-(2-butoxyphenyl)-2-(4-heptoxyanilino)acetamide
PubChem CID54822084
Molecular FormulaC25H36N2O3
Molecular Weight412.57 g/mol
Exact Mass412.27
IUPAC NameN-(2-butoxyphenyl)-2-(4-heptoxyanilino)acetamide
SMILESCCCCCCCOc1ccc(NCC(=O)Nc2ccccc2OCCCC)cc1
InChIInChI=1S/C25H36N2O3/c1-3-5-7-8-11-19-29-22-16-14-21(15-17-22)26-20-25(28)27-23-12-9-10-13-24(23)30-18-6-4-2/h9-10,12-17,26H,3-8,11,18-20H2,1-2H3,(H,27,28)
InChIKeyCMWGNFXELHOTQW-UHFFFAOYSA-N
XLogP6.27
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.57
LogP ≤ 56.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-heptoxyanilino)-N-[2-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54821930
N-[2-(2-phenoxyethoxy)phenyl]-2-(4-propoxyanilino)acetamide
CID 54820282
N-(2-butoxyphenyl)-2-(4-prop-2-enoxyanilino)acetamide
CID 54821544
N-(2-butoxyphenyl)-2-[4-(2-methylpropoxy)anilino]acetamide
CID 54820437
N-(2-fluorophenyl)-2-(4-heptoxyanilino)acetamide
CID 54821927
2-(2-butoxyanilino)-N-(4-propoxyphenyl)acetamide
CID 54828232
N-(2-butoxyphenyl)-2-[3-(2-phenoxyethoxy)anilino]acetamide
CID 54826111
N-(2-ethoxyphenyl)-2-[4-(2-methoxyethoxy)anilino]acetamide
CID 54822263
4-[[2-(2-butoxyanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 54840638
N-(3-chloro-2-methylphenyl)-2-(4-heptoxyanilino)acetamide
CID 54821866
propyl 4-[[2-(2-butoxyanilino)-2-oxoethyl]amino]benzoate
CID 54812902
2-anilino-N-(2-propoxyphenyl)acetamide
CID 51286142

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyphenyl)-2-(4-heptoxyanilino)acetamide?
The IUPAC name of N-(2-butoxyphenyl)-2-(4-heptoxyanilino)acetamide (CID 54822084) is N-(2-butoxyphenyl)-2-(4-heptoxyanilino)acetamide.
What is the SMILES notation for N-(2-butoxyphenyl)-2-(4-heptoxyanilino)acetamide?
The canonical SMILES for N-(2-butoxyphenyl)-2-(4-heptoxyanilino)acetamide is CCCCCCCOc1ccc(NCC(=O)Nc2ccccc2OCCCC)cc1.
What is the InChIKey of N-(2-butoxyphenyl)-2-(4-heptoxyanilino)acetamide?
The InChIKey is CMWGNFXELHOTQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N2O3/c1-3-5-7-8-11-19-29-22-16-14-21(15-17-22)26-20-25(28)27-23-12-9-10-13-24(23)30-18-6-4-2/h9-10,12-17,26H,3-8,11,18-20H2,1-2H3,(H,27,28).
What are the key properties of N-(2-butoxyphenyl)-2-(4-heptoxyanilino)acetamide?
N-(2-butoxyphenyl)-2-(4-heptoxyanilino)acetamide has a molecular weight of 412.57 g/mol, XLogP of 6.27, 15 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyphenyl)-2-(4-heptoxyanilino)acetamide is sourced from PubChem (CID 54822084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).