4-(7-hydroxynaphthalen-1-yl)heptanamide

C17H21NO2 — CID 91045091

IUPAC4-(7-hydroxynaphthalen-1-yl)heptanamide
SMILESCCCC(CCC(N)=O)c1cccc2ccc(O)cc12
InChIInChI=1S/C17H21NO2/c1-2-4-12(8-10-17(18)20)15-6-3-5-13-7-9-14(19)11-16(13)15/h3,5-7,9,11-12,19H,2,4,8,10H2,1H3,(H2,18,20)
InChIKeyMLCUSXZAVOHMQC-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.69
Rot. Bonds6

About 4-(7-hydroxynaphthalen-1-yl)heptanamide

4-(7-hydroxynaphthalen-1-yl)heptanamide (PubChem CID 91045091) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-(7-hydroxynaphthalen-1-yl)heptanamide.

Molecular Properties

Compound Name4-(7-hydroxynaphthalen-1-yl)heptanamide
PubChem CID91045091
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name4-(7-hydroxynaphthalen-1-yl)heptanamide
SMILESCCCC(CCC(N)=O)c1cccc2ccc(O)cc12
InChIInChI=1S/C17H21NO2/c1-2-4-12(8-10-17(18)20)15-6-3-5-13-7-9-14(19)11-16(13)15/h3,5-7,9,11-12,19H,2,4,8,10H2,1H3,(H2,18,20)
InChIKeyMLCUSXZAVOHMQC-UHFFFAOYSA-N
XLogP3.69
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(7-hydroxynaphthalen-1-yl)heptanamide?
The IUPAC name of 4-(7-hydroxynaphthalen-1-yl)heptanamide (CID 91045091) is 4-(7-hydroxynaphthalen-1-yl)heptanamide.
What is the SMILES notation for 4-(7-hydroxynaphthalen-1-yl)heptanamide?
The canonical SMILES for 4-(7-hydroxynaphthalen-1-yl)heptanamide is CCCC(CCC(N)=O)c1cccc2ccc(O)cc12.
What is the InChIKey of 4-(7-hydroxynaphthalen-1-yl)heptanamide?
The InChIKey is MLCUSXZAVOHMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-2-4-12(8-10-17(18)20)15-6-3-5-13-7-9-14(19)11-16(13)15/h3,5-7,9,11-12,19H,2,4,8,10H2,1H3,(H2,18,20).
What are the key properties of 4-(7-hydroxynaphthalen-1-yl)heptanamide?
4-(7-hydroxynaphthalen-1-yl)heptanamide has a molecular weight of 271.36 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-hydroxynaphthalen-1-yl)heptanamide is sourced from PubChem (CID 91045091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).