N-(4-pentylphenyl)-2-[(2-phenoxyacetyl)amino]acetamide

C21H26N2O3 — CID 26776941

IUPACN-(4-pentylphenyl)-2-[(2-phenoxyacetyl)amino]acetamide
SMILESCCCCCc1ccc(NC(=O)CNC(=O)COc2ccccc2)cc1
InChIInChI=1S/C21H26N2O3/c1-2-3-5-8-17-11-13-18(14-12-17)23-20(24)15-22-21(25)16-26-19-9-6-4-7-10-19/h4,6-7,9-14H,2-3,5,8,15-16H2,1H3,(H,22,25)(H,23,24)
InChIKeyVFVGKSGWAAVNMW-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.55
Rot. Bonds10

About N-(4-pentylphenyl)-2-[(2-phenoxyacetyl)amino]acetamide

N-(4-pentylphenyl)-2-[(2-phenoxyacetyl)amino]acetamide (PubChem CID 26776941) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-(4-pentylphenyl)-2-[(2-phenoxyacetyl)amino]acetamide.

Molecular Properties

Compound NameN-(4-pentylphenyl)-2-[(2-phenoxyacetyl)amino]acetamide
PubChem CID26776941
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-(4-pentylphenyl)-2-[(2-phenoxyacetyl)amino]acetamide
SMILESCCCCCc1ccc(NC(=O)CNC(=O)COc2ccccc2)cc1
InChIInChI=1S/C21H26N2O3/c1-2-3-5-8-17-11-13-18(14-12-17)23-20(24)15-22-21(25)16-26-19-9-6-4-7-10-19/h4,6-7,9-14H,2-3,5,8,15-16H2,1H3,(H,22,25)(H,23,24)
InChIKeyVFVGKSGWAAVNMW-UHFFFAOYSA-N
XLogP3.55
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.55
H-Bond Donors ≤ 52
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-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-[(2-phenoxyacetyl)amino]acetamide
CID 32940179
N-[4-(cyanomethyl)phenyl]-2-[(2-phenoxyacetyl)amino]acetamide
CID 9259898
phenyl N-(4-pentylphenyl)carbamate
CID 60630597
N-(4-hexoxyphenyl)-2-[4-(3-phenylpropoxy)anilino]acetamide
CID 54825486
2-(methylamino)-N-(4-pentylphenyl)acetamide
CID 61249144
2-[(2-phenoxyacetyl)amino]-N-[4-(1-phenylethylamino)phenyl]acetamide
CID 55987173
[2-(4-butylanilino)-2-oxoethyl] 4-phenoxybutanoate
CID 7729358
N-[4-(2-chloroethyl)phenyl]-2-phenoxyacetamide
CID 114299206
N-benzyl-3-[2-(4-butylanilino)-2-oxoethoxy]benzamide
CID 7492302
2-(3-bromophenoxy)-N-(4-butylphenyl)acetamide
CID 19171423
N-[2-(4-methoxyanilino)-2-oxoethyl]-4-pentylbenzamide
CID 4016608
2-(4-octylphenoxy)acetic acid
CID 27145

Frequently Asked Questions

What is the IUPAC name of N-(4-pentylphenyl)-2-[(2-phenoxyacetyl)amino]acetamide?
The IUPAC name of N-(4-pentylphenyl)-2-[(2-phenoxyacetyl)amino]acetamide (CID 26776941) is N-(4-pentylphenyl)-2-[(2-phenoxyacetyl)amino]acetamide.
What is the SMILES notation for N-(4-pentylphenyl)-2-[(2-phenoxyacetyl)amino]acetamide?
The canonical SMILES for N-(4-pentylphenyl)-2-[(2-phenoxyacetyl)amino]acetamide is CCCCCc1ccc(NC(=O)CNC(=O)COc2ccccc2)cc1.
What is the InChIKey of N-(4-pentylphenyl)-2-[(2-phenoxyacetyl)amino]acetamide?
The InChIKey is VFVGKSGWAAVNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-2-3-5-8-17-11-13-18(14-12-17)23-20(24)15-22-21(25)16-26-19-9-6-4-7-10-19/h4,6-7,9-14H,2-3,5,8,15-16H2,1H3,(H,22,25)(H,23,24).
What are the key properties of N-(4-pentylphenyl)-2-[(2-phenoxyacetyl)amino]acetamide?
N-(4-pentylphenyl)-2-[(2-phenoxyacetyl)amino]acetamide has a molecular weight of 354.45 g/mol, XLogP of 3.55, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pentylphenyl)-2-[(2-phenoxyacetyl)amino]acetamide is sourced from PubChem (CID 26776941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).