5-[4-(4-methoxyphenoxy)anilino]-5-oxopentanoate

C18H18NO5- — CID 6953047

IUPAC5-[4-(4-methoxyphenoxy)anilino]-5-oxopentanoate
SMILESCOc1ccc(Oc2ccc(NC(=O)CCCC(=O)[O-])cc2)cc1
InChIInChI=1S/C18H19NO5/c1-23-14-9-11-16(12-10-14)24-15-7-5-13(6-8-15)19-17(20)3-2-4-18(21)22/h5-12H,2-4H2,1H3,(H,19,20)(H,21,22)/p-1
InChIKeyPELQVHDXMWBLKP-UHFFFAOYSA-M
MW328.34 g/mol
LogP2.35
Rot. Bonds8

About 5-[4-(4-methoxyphenoxy)anilino]-5-oxopentanoate

5-[4-(4-methoxyphenoxy)anilino]-5-oxopentanoate (PubChem CID 6953047) has the molecular formula C18H18NO5- and a molecular weight of 328.34 g/mol. Its IUPAC name is 5-[4-(4-methoxyphenoxy)anilino]-5-oxopentanoate.

Molecular Properties

Compound Name5-[4-(4-methoxyphenoxy)anilino]-5-oxopentanoate
PubChem CID6953047
Molecular FormulaC18H18NO5-
Molecular Weight328.34 g/mol
Exact Mass328.12
IUPAC Name5-[4-(4-methoxyphenoxy)anilino]-5-oxopentanoate
SMILESCOc1ccc(Oc2ccc(NC(=O)CCCC(=O)[O-])cc2)cc1
InChIInChI=1S/C18H19NO5/c1-23-14-9-11-16(12-10-14)24-15-7-5-13(6-8-15)19-17(20)3-2-4-18(21)22/h5-12H,2-4H2,1H3,(H,19,20)(H,21,22)/p-1
InChIKeyPELQVHDXMWBLKP-UHFFFAOYSA-M
XLogP2.35
TPSA87.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 51058288
N-(4-methoxyphenyl)-6-oxooctanamide
CID 15388979
N-[4-[4-(heptanoylamino)phenoxy]phenyl]heptanamide
CID 3351099
N-(4-methoxyphenyl)-3-(4-phenoxyanilino)propanamide
CID 109039635
3-(4-methoxyanilino)-N-(4-phenoxyphenyl)propanamide
CID 109039699
5-oxo-5-(4-propan-2-ylanilino)pentanoate
CID 7038718
4-(4-methoxyanilino)-4-oxobutanoyl chloride
CID 82041607
5-[4-(4-aminophenoxy)anilino]-5-oxopentanoic acid
CID 18877669
N'-(4-methoxyphenyl)-N-prop-2-enylbutanediamide
CID 3325031
N-[4-[4-(methylamino)phenoxy]phenyl]-6-oxoheptanamide
CID 166048003

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-methoxyphenoxy)anilino]-5-oxopentanoate?
The IUPAC name of 5-[4-(4-methoxyphenoxy)anilino]-5-oxopentanoate (CID 6953047) is 5-[4-(4-methoxyphenoxy)anilino]-5-oxopentanoate.
What is the SMILES notation for 5-[4-(4-methoxyphenoxy)anilino]-5-oxopentanoate?
The canonical SMILES for 5-[4-(4-methoxyphenoxy)anilino]-5-oxopentanoate is COc1ccc(Oc2ccc(NC(=O)CCCC(=O)[O-])cc2)cc1.
What is the InChIKey of 5-[4-(4-methoxyphenoxy)anilino]-5-oxopentanoate?
The InChIKey is PELQVHDXMWBLKP-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H19NO5/c1-23-14-9-11-16(12-10-14)24-15-7-5-13(6-8-15)19-17(20)3-2-4-18(21)22/h5-12H,2-4H2,1H3,(H,19,20)(H,21,22)/p-1.
What are the key properties of 5-[4-(4-methoxyphenoxy)anilino]-5-oxopentanoate?
5-[4-(4-methoxyphenoxy)anilino]-5-oxopentanoate has a molecular weight of 328.34 g/mol, XLogP of 2.35, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-methoxyphenoxy)anilino]-5-oxopentanoate is sourced from PubChem (CID 6953047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).