N-[2-amino-4-(3-methylbutoxy)phenyl]-2-(3-methoxyphenoxy)acetamide

C20H26N2O4 — CID 86689284

IUPACN-[2-amino-4-(3-methylbutoxy)phenyl]-2-(3-methoxyphenoxy)acetamide
SMILESCOc1cccc(OCC(=O)Nc2ccc(OCCC(C)C)cc2N)c1
InChIInChI=1S/C20H26N2O4/c1-14(2)9-10-25-17-7-8-19(18(21)12-17)22-20(23)13-26-16-6-4-5-15(11-16)24-3/h4-8,11-12,14H,9-10,13,21H2,1-3H3,(H,22,23)
InChIKeyOPKVLWQUZXCSQC-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.72
Rot. Bonds9

About N-[2-amino-4-(3-methylbutoxy)phenyl]-2-(3-methoxyphenoxy)acetamide

N-[2-amino-4-(3-methylbutoxy)phenyl]-2-(3-methoxyphenoxy)acetamide (PubChem CID 86689284) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-[2-amino-4-(3-methylbutoxy)phenyl]-2-(3-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-amino-4-(3-methylbutoxy)phenyl]-2-(3-methoxyphenoxy)acetamide
PubChem CID86689284
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC NameN-[2-amino-4-(3-methylbutoxy)phenyl]-2-(3-methoxyphenoxy)acetamide
SMILESCOc1cccc(OCC(=O)Nc2ccc(OCCC(C)C)cc2N)c1
InChIInChI=1S/C20H26N2O4/c1-14(2)9-10-25-17-7-8-19(18(21)12-17)22-20(23)13-26-16-6-4-5-15(11-16)24-3/h4-8,11-12,14H,9-10,13,21H2,1-3H3,(H,22,23)
InChIKeyOPKVLWQUZXCSQC-UHFFFAOYSA-N
XLogP3.72
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4-dichlorophenyl)-2-[3-(3-methylbutoxy)phenoxy]acetamide
CID 1036548
N-(2-amino-4,5-dimethoxyphenyl)-2-(3-methoxyphenoxy)acetamide
CID 28867331
N-(4-ethoxy-2-nitrophenyl)-2-[3-(3-methylbutoxy)phenoxy]acetamide
CID 3406860
2-(4-methoxyphenoxy)-N-[4-(3-methylbutoxy)phenyl]acetamide
CID 4949852
N-(2,5-dimethoxyphenyl)-2-(3-methoxyphenoxy)acetamide
CID 19204029
N-(2-amino-4-methoxyphenyl)-2-[2-(2-methoxyethoxy)ethoxy]acetamide
CID 104560142
2-[4-(3-methylbutoxy)phenoxy]-N-naphthalen-1-ylacetamide
CID 4732901
N-(3,4-dichlorophenyl)-2-[3-(3-methylbutoxy)phenoxy]acetamide
CID 2330512
N-(5-chloro-2-fluorophenyl)-2-(3-methoxyphenoxy)acetamide
CID 112779285
2-(3-methoxyphenoxy)-N-propan-2-ylacetamide
CID 4149029
2-[3-[2-(4-methoxyanilino)-2-oxoethoxy]phenoxy]-N-(4-methoxyphenyl)acetamide
CID 71417144
2-(3-methoxyphenoxy)-N-(3-methoxyphenyl)acetamide
CID 19204025

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-4-(3-methylbutoxy)phenyl]-2-(3-methoxyphenoxy)acetamide?
The IUPAC name of N-[2-amino-4-(3-methylbutoxy)phenyl]-2-(3-methoxyphenoxy)acetamide (CID 86689284) is N-[2-amino-4-(3-methylbutoxy)phenyl]-2-(3-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[2-amino-4-(3-methylbutoxy)phenyl]-2-(3-methoxyphenoxy)acetamide?
The canonical SMILES for N-[2-amino-4-(3-methylbutoxy)phenyl]-2-(3-methoxyphenoxy)acetamide is COc1cccc(OCC(=O)Nc2ccc(OCCC(C)C)cc2N)c1.
What is the InChIKey of N-[2-amino-4-(3-methylbutoxy)phenyl]-2-(3-methoxyphenoxy)acetamide?
The InChIKey is OPKVLWQUZXCSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-14(2)9-10-25-17-7-8-19(18(21)12-17)22-20(23)13-26-16-6-4-5-15(11-16)24-3/h4-8,11-12,14H,9-10,13,21H2,1-3H3,(H,22,23).
What are the key properties of N-[2-amino-4-(3-methylbutoxy)phenyl]-2-(3-methoxyphenoxy)acetamide?
N-[2-amino-4-(3-methylbutoxy)phenyl]-2-(3-methoxyphenoxy)acetamide has a molecular weight of 358.44 g/mol, XLogP of 3.72, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-4-(3-methylbutoxy)phenyl]-2-(3-methoxyphenoxy)acetamide is sourced from PubChem (CID 86689284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).