(4-methoxy-N-(4-methoxyphenyl)anilino) acetate

C16H17NO4 — CID 175095203

IUPAC(4-methoxy-N-(4-methoxyphenyl)anilino) acetate
SMILESCOc1ccc(N(OC(C)=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C16H17NO4/c1-12(18)21-17(13-4-8-15(19-2)9-5-13)14-6-10-16(20-3)11-7-14/h4-11H,1-3H3
InChIKeyZZHPBUORXJYPTI-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.32
Rot. Bonds5

About (4-methoxy-N-(4-methoxyphenyl)anilino) acetate

(4-methoxy-N-(4-methoxyphenyl)anilino) acetate (PubChem CID 175095203) has the molecular formula C16H17NO4 and a molecular weight of 287.32 g/mol. Its IUPAC name is (4-methoxy-N-(4-methoxyphenyl)anilino) acetate.

Molecular Properties

Compound Name(4-methoxy-N-(4-methoxyphenyl)anilino) acetate
PubChem CID175095203
Molecular FormulaC16H17NO4
Molecular Weight287.32 g/mol
Exact Mass287.12
IUPAC Name(4-methoxy-N-(4-methoxyphenyl)anilino) acetate
SMILESCOc1ccc(N(OC(C)=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C16H17NO4/c1-12(18)21-17(13-4-8-15(19-2)9-5-13)14-6-10-16(20-3)11-7-14/h4-11H,1-3H3
InChIKeyZZHPBUORXJYPTI-UHFFFAOYSA-N
XLogP3.32
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (4-methoxy-N-(4-methoxyphenyl)anilino) acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(N-(3-chlorophenyl)-4-methoxyanilino) acetate
CID 175350374
(4-methoxy-N-thiophen-2-ylanilino) acetate
CID 175099311
[4-methoxy-N-(2-oxopropoxy)anilino] acetate
CID 163606382
N,N-bis(4-methoxyphenyl)-2-oxopropanamide;ethane
CID 143471525
(4-methoxyphenyl)-methylcarbamic acid
CID 22047987
amino-(4-methoxyphenyl)carbamic acid
CID 66864834
1-N,1-N,4-N,4-N-tetrakis(4-methoxyphenyl)benzene-1,4-diamine
CID 18996647
2-[N-(carboxymethyl)-4-methoxyanilino]acetic acid
CID 4712243
4-methoxy-N-(4-methoxyphenyl)-N-methylaniline;hydrochloride
CID 175476332
N-(4-acetylphenyl)-N-(4-methoxyphenyl)nitrous amide
CID 11288691
1-(4-methoxyphenyl)ethanone;hydrochloride
CID 23164565
1-(4-methoxyphenyl)-1,3-dimethylurea
CID 116655338

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-N-(4-methoxyphenyl)anilino) acetate?
The IUPAC name of (4-methoxy-N-(4-methoxyphenyl)anilino) acetate (CID 175095203) is (4-methoxy-N-(4-methoxyphenyl)anilino) acetate.
What is the SMILES notation for (4-methoxy-N-(4-methoxyphenyl)anilino) acetate?
The canonical SMILES for (4-methoxy-N-(4-methoxyphenyl)anilino) acetate is COc1ccc(N(OC(C)=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of (4-methoxy-N-(4-methoxyphenyl)anilino) acetate?
The InChIKey is ZZHPBUORXJYPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-12(18)21-17(13-4-8-15(19-2)9-5-13)14-6-10-16(20-3)11-7-14/h4-11H,1-3H3.
What are the key properties of (4-methoxy-N-(4-methoxyphenyl)anilino) acetate?
(4-methoxy-N-(4-methoxyphenyl)anilino) acetate has a molecular weight of 287.32 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-N-(4-methoxyphenyl)anilino) acetate is sourced from PubChem (CID 175095203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).