2-(N-acetyl-4-phenylmethoxyanilino)-N-pentylacetamide

C22H28N2O3 — CID 113177543

IUPAC2-(N-acetyl-4-phenylmethoxyanilino)-N-pentylacetamide
SMILESCCCCCNC(=O)CN(C(C)=O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C22H28N2O3/c1-3-4-8-15-23-22(26)16-24(18(2)25)20-11-13-21(14-12-20)27-17-19-9-6-5-7-10-19/h5-7,9-14H,3-4,8,15-17H2,1-2H3,(H,23,26)
InChIKeyZEWQHQSLAZQIKF-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.92
Rot. Bonds10

About 2-(N-acetyl-4-phenylmethoxyanilino)-N-pentylacetamide

2-(N-acetyl-4-phenylmethoxyanilino)-N-pentylacetamide (PubChem CID 113177543) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-(N-acetyl-4-phenylmethoxyanilino)-N-pentylacetamide.

Molecular Properties

Compound Name2-(N-acetyl-4-phenylmethoxyanilino)-N-pentylacetamide
PubChem CID113177543
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name2-(N-acetyl-4-phenylmethoxyanilino)-N-pentylacetamide
SMILESCCCCCNC(=O)CN(C(C)=O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C22H28N2O3/c1-3-4-8-15-23-22(26)16-24(18(2)25)20-11-13-21(14-12-20)27-17-19-9-6-5-7-10-19/h5-7,9-14H,3-4,8,15-17H2,1-2H3,(H,23,26)
InChIKeyZEWQHQSLAZQIKF-UHFFFAOYSA-N
XLogP3.92
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.92
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

2-[N-acetyl-4-[(4-chlorophenyl)methoxy]anilino]-N-butylacetamide
CID 113179396
2-(N-acetyl-4-phenoxyanilino)-N-butylacetamide
CID 113177439
2-(N-acetyl-4-methoxyanilino)-N-pentylacetamide
CID 113173563
2-(N-acetyl-4-ethoxyanilino)-N-butylacetamide
CID 113173852
2-(N-acetyl-4-phenylmethoxyanilino)-N-cyclohexylacetamide
CID 113177523
2-[N-acetyl-4-(dimethylamino)anilino]-N-(3-phenylpropyl)acetamide
CID 113176712
2-(N-acetyl-4-phenylmethoxyanilino)-N-(4-cyanophenyl)acetamide
CID 113177559
2-(N-acetyl-4-ethylanilino)-N-(2-phenylethyl)acetamide
CID 113169247
N-butyl-3-(4-phenylmethoxyanilino)propanamide
CID 109012323
2-(N-acetyl-3,4-difluoroanilino)-N-pentylacetamide
CID 113181630
2-(N,3-diacetylanilino)-N-pentylacetamide
CID 113175445
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-pentylacetamide
CID 21372135

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-4-phenylmethoxyanilino)-N-pentylacetamide?
The IUPAC name of 2-(N-acetyl-4-phenylmethoxyanilino)-N-pentylacetamide (CID 113177543) is 2-(N-acetyl-4-phenylmethoxyanilino)-N-pentylacetamide.
What is the SMILES notation for 2-(N-acetyl-4-phenylmethoxyanilino)-N-pentylacetamide?
The canonical SMILES for 2-(N-acetyl-4-phenylmethoxyanilino)-N-pentylacetamide is CCCCCNC(=O)CN(C(C)=O)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 2-(N-acetyl-4-phenylmethoxyanilino)-N-pentylacetamide?
The InChIKey is ZEWQHQSLAZQIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-3-4-8-15-23-22(26)16-24(18(2)25)20-11-13-21(14-12-20)27-17-19-9-6-5-7-10-19/h5-7,9-14H,3-4,8,15-17H2,1-2H3,(H,23,26).
What are the key properties of 2-(N-acetyl-4-phenylmethoxyanilino)-N-pentylacetamide?
2-(N-acetyl-4-phenylmethoxyanilino)-N-pentylacetamide has a molecular weight of 368.48 g/mol, XLogP of 3.92, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-4-phenylmethoxyanilino)-N-pentylacetamide is sourced from PubChem (CID 113177543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).