N-[5-amino-2-(4-ethylpiperazin-1-yl)phenyl]-2-phenoxyacetamide

C20H26N4O2 — CID 91675894

IUPACN-[5-amino-2-(4-ethylpiperazin-1-yl)phenyl]-2-phenoxyacetamide
SMILESCCN1CCN(c2ccc(N)cc2NC(=O)COc2ccccc2)CC1
InChIInChI=1S/C20H26N4O2/c1-2-23-10-12-24(13-11-23)19-9-8-16(21)14-18(19)22-20(25)15-26-17-6-4-3-5-7-17/h3-9,14H,2,10-13,15,21H2,1H3,(H,22,25)
InChIKeyDTQNWFSXPNEFMV-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.43
Rot. Bonds6

About N-[5-amino-2-(4-ethylpiperazin-1-yl)phenyl]-2-phenoxyacetamide

N-[5-amino-2-(4-ethylpiperazin-1-yl)phenyl]-2-phenoxyacetamide (PubChem CID 91675894) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[5-amino-2-(4-ethylpiperazin-1-yl)phenyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[5-amino-2-(4-ethylpiperazin-1-yl)phenyl]-2-phenoxyacetamide
PubChem CID91675894
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN-[5-amino-2-(4-ethylpiperazin-1-yl)phenyl]-2-phenoxyacetamide
SMILESCCN1CCN(c2ccc(N)cc2NC(=O)COc2ccccc2)CC1
InChIInChI=1S/C20H26N4O2/c1-2-23-10-12-24(13-11-23)19-9-8-16(21)14-18(19)22-20(25)15-26-17-6-4-3-5-7-17/h3-9,14H,2,10-13,15,21H2,1H3,(H,22,25)
InChIKeyDTQNWFSXPNEFMV-UHFFFAOYSA-N
XLogP2.43
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]-2-phenoxyacetamide
CID 24980516
N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-(3-propan-2-ylphenoxy)acetamide
CID 55640232
ethyl 4-(4-ethylpiperazin-1-yl)-3-[[2-(4-methylphenoxy)acetyl]amino]benzoate
CID 17047082
N-[5-amino-2-(4-methylpiperazin-1-yl)phenyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 91675905
N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-(4-propoxyphenoxy)acetamide
CID 55359272
methyl 3-[[2-(4-ethylphenoxy)acetyl]amino]-4-(4-ethylpiperazin-1-yl)benzoate
CID 4975408
N-[5-amino-2-(4-ethylpiperazin-1-yl)phenyl]-3-butoxybenzamide
CID 91675878
N-(5-fluoro-2-piperidin-1-ylphenyl)-2-phenoxyacetamide
CID 113092602
N-(5-amino-2-methylphenyl)-2-phenoxyacetamide
CID 16794397
N-[5-amino-2-(4-ethylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide
CID 91675791
N-[5-amino-2-(4-ethylpiperazin-1-yl)phenyl]pyridine-3-carboxamide
CID 91675846
N-[2-(4-methylpiperazin-1-yl)phenyl]-2-(4-phenoxyphenoxy)acetamide
CID 43039942

Frequently Asked Questions

What is the IUPAC name of N-[5-amino-2-(4-ethylpiperazin-1-yl)phenyl]-2-phenoxyacetamide?
The IUPAC name of N-[5-amino-2-(4-ethylpiperazin-1-yl)phenyl]-2-phenoxyacetamide (CID 91675894) is N-[5-amino-2-(4-ethylpiperazin-1-yl)phenyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[5-amino-2-(4-ethylpiperazin-1-yl)phenyl]-2-phenoxyacetamide?
The canonical SMILES for N-[5-amino-2-(4-ethylpiperazin-1-yl)phenyl]-2-phenoxyacetamide is CCN1CCN(c2ccc(N)cc2NC(=O)COc2ccccc2)CC1.
What is the InChIKey of N-[5-amino-2-(4-ethylpiperazin-1-yl)phenyl]-2-phenoxyacetamide?
The InChIKey is DTQNWFSXPNEFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-2-23-10-12-24(13-11-23)19-9-8-16(21)14-18(19)22-20(25)15-26-17-6-4-3-5-7-17/h3-9,14H,2,10-13,15,21H2,1H3,(H,22,25).
What are the key properties of N-[5-amino-2-(4-ethylpiperazin-1-yl)phenyl]-2-phenoxyacetamide?
N-[5-amino-2-(4-ethylpiperazin-1-yl)phenyl]-2-phenoxyacetamide has a molecular weight of 354.45 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-amino-2-(4-ethylpiperazin-1-yl)phenyl]-2-phenoxyacetamide is sourced from PubChem (CID 91675894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).