11-[[2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]amino]undecanoic acid

C28H35NO4 — CID 4536142

IUPAC11-[[2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]amino]undecanoic acid
SMILESCOc1ccc(-c2c/c(=N\CCCCCCCCCCC(=O)O)c3cc(C)ccc3o2)cc1
InChIInChI=1S/C28H35NO4/c1-21-12-17-26-24(19-21)25(20-27(33-26)22-13-15-23(32-2)16-14-22)29-18-10-8-6-4-3-5-7-9-11-28(30)31/h12-17,19-20H,3-11,18H2,1-2H3,(H,30,31)/b29-25+
InChIKeyWINGXIPGQAZCKZ-XLVZBRSZSA-N
MW449.59 g/mol
LogP6.91
Rot. Bonds13

About 11-[[2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]amino]undecanoic acid

11-[[2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]amino]undecanoic acid (PubChem CID 4536142) has the molecular formula C28H35NO4 and a molecular weight of 449.59 g/mol. Its IUPAC name is 11-[[2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]amino]undecanoic acid.

Molecular Properties

Compound Name11-[[2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]amino]undecanoic acid
PubChem CID4536142
Molecular FormulaC28H35NO4
Molecular Weight449.59 g/mol
Exact Mass449.26
IUPAC Name11-[[2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]amino]undecanoic acid
SMILESCOc1ccc(-c2c/c(=N\CCCCCCCCCCC(=O)O)c3cc(C)ccc3o2)cc1
InChIInChI=1S/C28H35NO4/c1-21-12-17-26-24(19-21)25(20-27(33-26)22-13-15-23(32-2)16-14-22)29-18-10-8-6-4-3-5-7-9-11-28(30)31/h12-17,19-20H,3-11,18H2,1-2H3,(H,30,31)/b29-25+
InChIKeyWINGXIPGQAZCKZ-XLVZBRSZSA-N
XLogP6.91
TPSA72.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.59
LogP ≤ 56.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 11-[[2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]amino]undecanoic acid 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

2-[[2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]amino]-4-methylpentanoate
CID 3466206
2-[4-(4-methoxyphenyl)-6-methyl-2-oxochromen-3-yl]acetic acid
CID 134912016
11-[[4-(6-methyl-4-oxochromen-2-yl)benzoyl]amino]undecanoic acid
CID 108790270
2-[[2-(3,4-dimethoxyphenyl)-6-methylchromen-4-ylidene]amino]butanoic acid
CID 3749969
2-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-6-methylchromen-4-imine;perchloric acid
CID 18593861
2-[[6-hydroxy-2-(4-methoxyphenyl)chromen-4-ylidene]amino]-3-methylbutanoic acid
CID 23736058
[2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]-(2-phenylethyl)azanium
CID 1181688
2-[5-(4-methoxyphenyl)furan-2-yl]-6-methylquinoline-4-carboxylic acid
CID 51368379
dodecanedioic acid;1,4-xylene
CID 66586315
6-methoxy-2-(4-methylphenyl)chromene-4-thione
CID 100960680
(NZ)-N-[6-chloro-2-(4-methoxyphenyl)-7-methylchromen-4-ylidene]hydroxylamine
CID 7730715
6-methyl-2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)chromen-4-imine
CID 5146613

Frequently Asked Questions

What is the IUPAC name of 11-[[2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]amino]undecanoic acid?
The IUPAC name of 11-[[2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]amino]undecanoic acid (CID 4536142) is 11-[[2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]amino]undecanoic acid.
What is the SMILES notation for 11-[[2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]amino]undecanoic acid?
The canonical SMILES for 11-[[2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]amino]undecanoic acid is COc1ccc(-c2c/c(=N\CCCCCCCCCCC(=O)O)c3cc(C)ccc3o2)cc1.
What is the InChIKey of 11-[[2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]amino]undecanoic acid?
The InChIKey is WINGXIPGQAZCKZ-XLVZBRSZSA-N. The full InChI is InChI=1S/C28H35NO4/c1-21-12-17-26-24(19-21)25(20-27(33-26)22-13-15-23(32-2)16-14-22)29-18-10-8-6-4-3-5-7-9-11-28(30)31/h12-17,19-20H,3-11,18H2,1-2H3,(H,30,31)/b29-25+.
What are the key properties of 11-[[2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]amino]undecanoic acid?
11-[[2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]amino]undecanoic acid has a molecular weight of 449.59 g/mol, XLogP of 6.91, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[[2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]amino]undecanoic acid is sourced from PubChem (CID 4536142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).