N-[2-(4-hydroxyanilino)-2-oxoethyl]heptanamide

C15H22N2O3 — CID 22082464

IUPACN-[2-(4-hydroxyanilino)-2-oxoethyl]heptanamide
SMILESCCCCCCC(=O)NCC(=O)Nc1ccc(O)cc1
InChIInChI=1S/C15H22N2O3/c1-2-3-4-5-6-14(19)16-11-15(20)17-12-7-9-13(18)10-8-12/h7-10,18H,2-6,11H2,1H3,(H,16,19)(H,17,20)
InChIKeyQQXYQIJAPHWNFU-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.42
Rot. Bonds8

About N-[2-(4-hydroxyanilino)-2-oxoethyl]heptanamide

N-[2-(4-hydroxyanilino)-2-oxoethyl]heptanamide (PubChem CID 22082464) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-[2-(4-hydroxyanilino)-2-oxoethyl]heptanamide.

Molecular Properties

Compound NameN-[2-(4-hydroxyanilino)-2-oxoethyl]heptanamide
PubChem CID22082464
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-[2-(4-hydroxyanilino)-2-oxoethyl]heptanamide
SMILESCCCCCCC(=O)NCC(=O)Nc1ccc(O)cc1
InChIInChI=1S/C15H22N2O3/c1-2-3-4-5-6-14(19)16-11-15(20)17-12-7-9-13(18)10-8-12/h7-10,18H,2-6,11H2,1H3,(H,16,19)(H,17,20)
InChIKeyQQXYQIJAPHWNFU-UHFFFAOYSA-N
XLogP2.42
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[12-(4-hydroxyanilino)-12-oxododecyl]tridecanamide
CID 59961365
N-[6-(4-hydroxyanilino)-6-oxohexyl]octadecanamide
CID 59961397
N-(4-hydroxyphenyl)-6-(2-octadecanoylhydrazinyl)-6-oxohexanamide
CID 139759322
N-[4-(4-hydroxyphenyl)phenyl]octanamide
CID 139889893
N-[2-(4-methoxyanilino)-2-oxoethyl]nonanamide
CID 5172800
N-(4-hydroxyphenyl)-8-(octadecylcarbamoylamino)octanamide
CID 59961331
N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044
N-[2-(4-hydroxyanilino)-2-oxoethyl]propanamide
CID 59961348
N-[2-(4-hydroxyanilino)ethyl]octadecanamide
CID 54485525
N-(4-acetamidophenyl)hexanamide
CID 4953736
N-(4-chlorophenyl)tridecanamide
CID 4195215
8-(4-hydroxyanilino)-8-oxooctanoic acid
CID 59835382

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxyanilino)-2-oxoethyl]heptanamide?
The IUPAC name of N-[2-(4-hydroxyanilino)-2-oxoethyl]heptanamide (CID 22082464) is N-[2-(4-hydroxyanilino)-2-oxoethyl]heptanamide.
What is the SMILES notation for N-[2-(4-hydroxyanilino)-2-oxoethyl]heptanamide?
The canonical SMILES for N-[2-(4-hydroxyanilino)-2-oxoethyl]heptanamide is CCCCCCC(=O)NCC(=O)Nc1ccc(O)cc1.
What is the InChIKey of N-[2-(4-hydroxyanilino)-2-oxoethyl]heptanamide?
The InChIKey is QQXYQIJAPHWNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-2-3-4-5-6-14(19)16-11-15(20)17-12-7-9-13(18)10-8-12/h7-10,18H,2-6,11H2,1H3,(H,16,19)(H,17,20).
What are the key properties of N-[2-(4-hydroxyanilino)-2-oxoethyl]heptanamide?
N-[2-(4-hydroxyanilino)-2-oxoethyl]heptanamide has a molecular weight of 278.35 g/mol, XLogP of 2.42, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hydroxyanilino)-2-oxoethyl]heptanamide is sourced from PubChem (CID 22082464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).