N-[4-[4-(methylamino)phenoxy]phenyl]-6-oxoheptanamide

C20H24N2O3 — CID 166048003

IUPACN-[4-[4-(methylamino)phenoxy]phenyl]-6-oxoheptanamide
SMILESCNc1ccc(Oc2ccc(NC(=O)CCCCC(C)=O)cc2)cc1
InChIInChI=1S/C20H24N2O3/c1-15(23)5-3-4-6-20(24)22-17-9-13-19(14-10-17)25-18-11-7-16(21-2)8-12-18/h7-14,21H,3-6H2,1-2H3,(H,22,24)
InChIKeyOXWJJDAWIUIKHY-UHFFFAOYSA-N
MW340.42 g/mol
LogP4.61
Rot. Bonds9

About N-[4-[4-(methylamino)phenoxy]phenyl]-6-oxoheptanamide

N-[4-[4-(methylamino)phenoxy]phenyl]-6-oxoheptanamide (PubChem CID 166048003) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-[4-[4-(methylamino)phenoxy]phenyl]-6-oxoheptanamide.

Molecular Properties

Compound NameN-[4-[4-(methylamino)phenoxy]phenyl]-6-oxoheptanamide
PubChem CID166048003
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-[4-[4-(methylamino)phenoxy]phenyl]-6-oxoheptanamide
SMILESCNc1ccc(Oc2ccc(NC(=O)CCCCC(C)=O)cc2)cc1
InChIInChI=1S/C20H24N2O3/c1-15(23)5-3-4-6-20(24)22-17-9-13-19(14-10-17)25-18-11-7-16(21-2)8-12-18/h7-14,21H,3-6H2,1-2H3,(H,22,24)
InChIKeyOXWJJDAWIUIKHY-UHFFFAOYSA-N
XLogP4.61
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[4-(heptanoylamino)phenoxy]phenyl]heptanamide
CID 3351099
N-[4-(methylamino)phenyl]pentanamide
CID 71040406
N,N'-bis(4-methoxyphenyl)dodecanediamide
CID 5187461
5-chloro-N-(4-phenoxyphenyl)pentanamide
CID 28971507
5-[4-(4-methoxyphenoxy)anilino]-5-oxopentanoate
CID 6953047
N,N'-bis(4-ethoxyphenyl)nonanediamide
CID 4507995
N-[4-[4-[3-[4-[4-(methylamino)phenyl]phenyl]-1,2,4-oxadiazol-5-yl]phenyl]phenyl]-8-oxononanamide
CID 23379886
6-(4-methoxyanilino)-6-oxohexanoic acid
CID 19422065
[4-[[8-(hydroxyamino)-8-oxooctanoyl]amino]phenyl] acetate
CID 175537934
N-naphthalen-2-yl-8-oxononanamide
CID 156626701
5-[4-(4-aminophenoxy)anilino]-5-oxopentanoic acid
CID 18877669
3-[4-(6-oxoheptanoylamino)phenyl]prop-2-enoic acid
CID 54350030

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(methylamino)phenoxy]phenyl]-6-oxoheptanamide?
The IUPAC name of N-[4-[4-(methylamino)phenoxy]phenyl]-6-oxoheptanamide (CID 166048003) is N-[4-[4-(methylamino)phenoxy]phenyl]-6-oxoheptanamide.
What is the SMILES notation for N-[4-[4-(methylamino)phenoxy]phenyl]-6-oxoheptanamide?
The canonical SMILES for N-[4-[4-(methylamino)phenoxy]phenyl]-6-oxoheptanamide is CNc1ccc(Oc2ccc(NC(=O)CCCCC(C)=O)cc2)cc1.
What is the InChIKey of N-[4-[4-(methylamino)phenoxy]phenyl]-6-oxoheptanamide?
The InChIKey is OXWJJDAWIUIKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-15(23)5-3-4-6-20(24)22-17-9-13-19(14-10-17)25-18-11-7-16(21-2)8-12-18/h7-14,21H,3-6H2,1-2H3,(H,22,24).
What are the key properties of N-[4-[4-(methylamino)phenoxy]phenyl]-6-oxoheptanamide?
N-[4-[4-(methylamino)phenoxy]phenyl]-6-oxoheptanamide has a molecular weight of 340.42 g/mol, XLogP of 4.61, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(methylamino)phenoxy]phenyl]-6-oxoheptanamide is sourced from PubChem (CID 166048003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).