2-[[2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]amino]-4-methylpentanoate

C23H24NO4- — CID 3466206

IUPAC2-[[2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]amino]-4-methylpentanoate
SMILESCOc1ccc(-c2c/c(=N\C(CC(C)C)C(=O)[O-])c3cc(C)ccc3o2)cc1
InChIInChI=1S/C23H25NO4/c1-14(2)11-20(23(25)26)24-19-13-22(16-6-8-17(27-4)9-7-16)28-21-10-5-15(3)12-18(19)21/h5-10,12-14,20H,11H2,1-4H3,(H,25,26)/p-1/b24-19+
InChIKeyDCMJHVDYYQLBFE-LYBHJNIJSA-M
MW378.45 g/mol
LogP3.48
Rot. Bonds6

About 2-[[2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]amino]-4-methylpentanoate

2-[[2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]amino]-4-methylpentanoate (PubChem CID 3466206) has the molecular formula C23H24NO4- and a molecular weight of 378.45 g/mol. Its IUPAC name is 2-[[2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]amino]-4-methylpentanoate.

Molecular Properties

Compound Name2-[[2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]amino]-4-methylpentanoate
PubChem CID3466206
Molecular FormulaC23H24NO4-
Molecular Weight378.45 g/mol
Exact Mass378.17
IUPAC Name2-[[2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]amino]-4-methylpentanoate
SMILESCOc1ccc(-c2c/c(=N\C(CC(C)C)C(=O)[O-])c3cc(C)ccc3o2)cc1
InChIInChI=1S/C23H25NO4/c1-14(2)11-20(23(25)26)24-19-13-22(16-6-8-17(27-4)9-7-16)28-21-10-5-15(3)12-18(19)21/h5-10,12-14,20H,11H2,1-4H3,(H,25,26)/p-1/b24-19+
InChIKeyDCMJHVDYYQLBFE-LYBHJNIJSA-M
XLogP3.48
TPSA74.86 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(3,4-dimethoxyphenyl)-6-methylchromen-4-ylidene]amino]butanoic acid
CID 3749969
11-[[2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]amino]undecanoic acid
CID 4536142
2-[[6-hydroxy-2-(4-methoxyphenyl)chromen-4-ylidene]amino]-3-methylbutanoic acid
CID 23736058
2-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-6-methylchromen-4-imine;perchloric acid
CID 18593861
(2R)-2-[2-(4-methylphenyl)-4-oxochromen-6-yl]oxypropanoate
CID 7575311
(2,3-dimethylphenyl)-[2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]azanium
CID 3557993
6-methoxy-2-(4-methylphenyl)chromene-4-thione
CID 100960680
(NZ)-N-[6-chloro-2-(4-methoxyphenyl)-7-methylchromen-4-ylidene]hydroxylamine
CID 7730715
[2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]-(2-phenylethyl)azanium
CID 1181688
2-[4-(4-methoxyphenyl)-6-methyl-2-oxochromen-3-yl]acetic acid
CID 134912016
2-[5-(4-methoxyphenyl)furan-2-yl]-6-methylquinoline-4-carboxylic acid
CID 51368379
N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-3-(4-methylphenoxy)propanamide
CID 108811249

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]amino]-4-methylpentanoate?
The IUPAC name of 2-[[2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]amino]-4-methylpentanoate (CID 3466206) is 2-[[2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]amino]-4-methylpentanoate.
What is the SMILES notation for 2-[[2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]amino]-4-methylpentanoate?
The canonical SMILES for 2-[[2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]amino]-4-methylpentanoate is COc1ccc(-c2c/c(=N\C(CC(C)C)C(=O)[O-])c3cc(C)ccc3o2)cc1.
What is the InChIKey of 2-[[2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]amino]-4-methylpentanoate?
The InChIKey is DCMJHVDYYQLBFE-LYBHJNIJSA-M. The full InChI is InChI=1S/C23H25NO4/c1-14(2)11-20(23(25)26)24-19-13-22(16-6-8-17(27-4)9-7-16)28-21-10-5-15(3)12-18(19)21/h5-10,12-14,20H,11H2,1-4H3,(H,25,26)/p-1/b24-19+.
What are the key properties of 2-[[2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]amino]-4-methylpentanoate?
2-[[2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]amino]-4-methylpentanoate has a molecular weight of 378.45 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]amino]-4-methylpentanoate is sourced from PubChem (CID 3466206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).