N-[3-(2-phenoxyethoxy)phenyl]-2-(1-phenylpropylamino)acetamide

C25H28N2O3 — CID 54845800

IUPACN-[3-(2-phenoxyethoxy)phenyl]-2-(1-phenylpropylamino)acetamide
SMILESCCC(NCC(=O)Nc1cccc(OCCOc2ccccc2)c1)c1ccccc1
InChIInChI=1S/C25H28N2O3/c1-2-24(20-10-5-3-6-11-20)26-19-25(28)27-21-12-9-15-23(18-21)30-17-16-29-22-13-7-4-8-14-22/h3-15,18,24,26H,2,16-17,19H2,1H3,(H,27,28)
InChIKeyKCXWIBCLDULNFA-UHFFFAOYSA-N
MW404.51 g/mol
LogP4.82
Rot. Bonds11

About N-[3-(2-phenoxyethoxy)phenyl]-2-(1-phenylpropylamino)acetamide

N-[3-(2-phenoxyethoxy)phenyl]-2-(1-phenylpropylamino)acetamide (PubChem CID 54845800) has the molecular formula C25H28N2O3 and a molecular weight of 404.51 g/mol. Its IUPAC name is N-[3-(2-phenoxyethoxy)phenyl]-2-(1-phenylpropylamino)acetamide.

Molecular Properties

Compound NameN-[3-(2-phenoxyethoxy)phenyl]-2-(1-phenylpropylamino)acetamide
PubChem CID54845800
Molecular FormulaC25H28N2O3
Molecular Weight404.51 g/mol
Exact Mass404.21
IUPAC NameN-[3-(2-phenoxyethoxy)phenyl]-2-(1-phenylpropylamino)acetamide
SMILESCCC(NCC(=O)Nc1cccc(OCCOc2ccccc2)c1)c1ccccc1
InChIInChI=1S/C25H28N2O3/c1-2-24(20-10-5-3-6-11-20)26-19-25(28)27-21-12-9-15-23(18-21)30-17-16-29-22-13-7-4-8-14-22/h3-15,18,24,26H,2,16-17,19H2,1H3,(H,27,28)
InChIKeyKCXWIBCLDULNFA-UHFFFAOYSA-N
XLogP4.82
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1-phenylpropylamino)-N-(3-propoxyphenyl)acetamide
CID 54845702
N-(4-ethoxyphenyl)-2-(1-phenylpropylamino)acetamide
CID 54845214
2-[1-(3-chlorophenyl)propylamino]-N-phenylacetamide
CID 112841756
2-(1-phenylpropylamino)-N-(4-prop-2-enoxyphenyl)acetamide
CID 54845474
N,N-dimethyl-3-[[2-(1-phenylpropylamino)acetyl]amino]benzamide
CID 54845868
2-[3-(2-ethoxyethoxy)anilino]-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54827581
2-(3,5-dimethylanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54813315
2-(4-methylanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54813929
2-(2-methoxyethylamino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54819962
2-(3,4-dimethylanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54811716
3-amino-N-[3-(2-methoxyethoxy)phenyl]-3-phenylpropanamide
CID 119949876
N-(3-hexoxyphenyl)-2-(propan-2-ylamino)acetamide
CID 54817631

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-phenoxyethoxy)phenyl]-2-(1-phenylpropylamino)acetamide?
The IUPAC name of N-[3-(2-phenoxyethoxy)phenyl]-2-(1-phenylpropylamino)acetamide (CID 54845800) is N-[3-(2-phenoxyethoxy)phenyl]-2-(1-phenylpropylamino)acetamide.
What is the SMILES notation for N-[3-(2-phenoxyethoxy)phenyl]-2-(1-phenylpropylamino)acetamide?
The canonical SMILES for N-[3-(2-phenoxyethoxy)phenyl]-2-(1-phenylpropylamino)acetamide is CCC(NCC(=O)Nc1cccc(OCCOc2ccccc2)c1)c1ccccc1.
What is the InChIKey of N-[3-(2-phenoxyethoxy)phenyl]-2-(1-phenylpropylamino)acetamide?
The InChIKey is KCXWIBCLDULNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3/c1-2-24(20-10-5-3-6-11-20)26-19-25(28)27-21-12-9-15-23(18-21)30-17-16-29-22-13-7-4-8-14-22/h3-15,18,24,26H,2,16-17,19H2,1H3,(H,27,28).
What are the key properties of N-[3-(2-phenoxyethoxy)phenyl]-2-(1-phenylpropylamino)acetamide?
N-[3-(2-phenoxyethoxy)phenyl]-2-(1-phenylpropylamino)acetamide has a molecular weight of 404.51 g/mol, XLogP of 4.82, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-phenoxyethoxy)phenyl]-2-(1-phenylpropylamino)acetamide is sourced from PubChem (CID 54845800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).