(3-hydroxynaphthalen-2-yl)-(4-methylazepan-1-yl)methanone

C18H21NO2 — CID 62045780

IUPAC(3-hydroxynaphthalen-2-yl)-(4-methylazepan-1-yl)methanone
SMILESCC1CCCN(C(=O)c2cc3ccccc3cc2O)CC1
InChIInChI=1S/C18H21NO2/c1-13-5-4-9-19(10-8-13)18(21)16-11-14-6-2-3-7-15(14)12-17(16)20/h2-3,6-7,11-13,20H,4-5,8-10H2,1H3
InChIKeyYWRCXQCKVYOKSQ-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.81
Rot. Bonds1

About (3-hydroxynaphthalen-2-yl)-(4-methylazepan-1-yl)methanone

(3-hydroxynaphthalen-2-yl)-(4-methylazepan-1-yl)methanone (PubChem CID 62045780) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is (3-hydroxynaphthalen-2-yl)-(4-methylazepan-1-yl)methanone.

Molecular Properties

Compound Name(3-hydroxynaphthalen-2-yl)-(4-methylazepan-1-yl)methanone
PubChem CID62045780
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name(3-hydroxynaphthalen-2-yl)-(4-methylazepan-1-yl)methanone
SMILESCC1CCCN(C(=O)c2cc3ccccc3cc2O)CC1
InChIInChI=1S/C18H21NO2/c1-13-5-4-9-19(10-8-13)18(21)16-11-14-6-2-3-7-15(14)12-17(16)20/h2-3,6-7,11-13,20H,4-5,8-10H2,1H3
InChIKeyYWRCXQCKVYOKSQ-UHFFFAOYSA-N
XLogP3.81
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-hydroxynaphthalen-2-yl)-(4-methylazepan-1-yl)methanone?
The IUPAC name of (3-hydroxynaphthalen-2-yl)-(4-methylazepan-1-yl)methanone (CID 62045780) is (3-hydroxynaphthalen-2-yl)-(4-methylazepan-1-yl)methanone.
What is the SMILES notation for (3-hydroxynaphthalen-2-yl)-(4-methylazepan-1-yl)methanone?
The canonical SMILES for (3-hydroxynaphthalen-2-yl)-(4-methylazepan-1-yl)methanone is CC1CCCN(C(=O)c2cc3ccccc3cc2O)CC1.
What is the InChIKey of (3-hydroxynaphthalen-2-yl)-(4-methylazepan-1-yl)methanone?
The InChIKey is YWRCXQCKVYOKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-13-5-4-9-19(10-8-13)18(21)16-11-14-6-2-3-7-15(14)12-17(16)20/h2-3,6-7,11-13,20H,4-5,8-10H2,1H3.
What are the key properties of (3-hydroxynaphthalen-2-yl)-(4-methylazepan-1-yl)methanone?
(3-hydroxynaphthalen-2-yl)-(4-methylazepan-1-yl)methanone has a molecular weight of 283.37 g/mol, XLogP of 3.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxynaphthalen-2-yl)-(4-methylazepan-1-yl)methanone is sourced from PubChem (CID 62045780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).