3-[1-(1-hydroxynaphthalen-2-yl)ethyl-methylamino]-N-methylpropanamide

C17H22N2O2 — CID 105400787

IUPAC3-[1-(1-hydroxynaphthalen-2-yl)ethyl-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)C(C)c1ccc2ccccc2c1O
InChIInChI=1S/C17H22N2O2/c1-12(19(3)11-10-16(20)18-2)14-9-8-13-6-4-5-7-15(13)17(14)21/h4-9,12,21H,10-11H2,1-3H3,(H,18,20)
InChIKeyDDQWCZBHMPVFNO-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.67
Rot. Bonds5

About 3-[1-(1-hydroxynaphthalen-2-yl)ethyl-methylamino]-N-methylpropanamide

3-[1-(1-hydroxynaphthalen-2-yl)ethyl-methylamino]-N-methylpropanamide (PubChem CID 105400787) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 3-[1-(1-hydroxynaphthalen-2-yl)ethyl-methylamino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[1-(1-hydroxynaphthalen-2-yl)ethyl-methylamino]-N-methylpropanamide
PubChem CID105400787
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name3-[1-(1-hydroxynaphthalen-2-yl)ethyl-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)C(C)c1ccc2ccccc2c1O
InChIInChI=1S/C17H22N2O2/c1-12(19(3)11-10-16(20)18-2)14-9-8-13-6-4-5-7-15(13)17(14)21/h4-9,12,21H,10-11H2,1-3H3,(H,18,20)
InChIKeyDDQWCZBHMPVFNO-UHFFFAOYSA-N
XLogP2.67
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

3-[1-(2-fluoro-4-hydroxyphenyl)ethyl-methylamino]-N-methylpropanamide
CID 107721203
2-[1-[methyl(3-methylbutan-2-yl)amino]ethyl]naphthalen-1-ol
CID 82977951
2-[1-[3,3-dimethylbutan-2-yl(methyl)amino]ethyl]naphthalen-1-ol
CID 82958439
2-[1-[2-(dimethylamino)ethylamino]ethyl]naphthalen-1-ol
CID 16787222
2-[1-(1-hydroxynaphthalen-2-yl)ethylamino]acetic acid
CID 43135176
2-[1-[2-methylpropyl(propan-2-yl)amino]ethyl]naphthalen-1-ol
CID 82958657
2-(1-bromoethyl)naphthalen-1-ol
CID 140980182
4-[1-(1-hydroxynaphthalen-2-yl)ethylamino]butanoic acid
CID 60782934
2-[(1-hydroxynaphthalen-2-yl)-phosphanylmethyl]naphthalen-1-ol
CID 23082396
3-[1-[4-(2-methoxyphenyl)phenyl]ethyl-methylamino]-N-methylpropanamide
CID 71999792
methyl 2-(1-hydroxynaphthalen-2-yl)-2-methoxyacetate
CID 135040960
2-[1-[ethyl(1-methoxypropan-2-yl)amino]ethyl]naphthalen-1-ol
CID 82958441

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-hydroxynaphthalen-2-yl)ethyl-methylamino]-N-methylpropanamide?
The IUPAC name of 3-[1-(1-hydroxynaphthalen-2-yl)ethyl-methylamino]-N-methylpropanamide (CID 105400787) is 3-[1-(1-hydroxynaphthalen-2-yl)ethyl-methylamino]-N-methylpropanamide.
What is the SMILES notation for 3-[1-(1-hydroxynaphthalen-2-yl)ethyl-methylamino]-N-methylpropanamide?
The canonical SMILES for 3-[1-(1-hydroxynaphthalen-2-yl)ethyl-methylamino]-N-methylpropanamide is CNC(=O)CCN(C)C(C)c1ccc2ccccc2c1O.
What is the InChIKey of 3-[1-(1-hydroxynaphthalen-2-yl)ethyl-methylamino]-N-methylpropanamide?
The InChIKey is DDQWCZBHMPVFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-12(19(3)11-10-16(20)18-2)14-9-8-13-6-4-5-7-15(13)17(14)21/h4-9,12,21H,10-11H2,1-3H3,(H,18,20).
What are the key properties of 3-[1-(1-hydroxynaphthalen-2-yl)ethyl-methylamino]-N-methylpropanamide?
3-[1-(1-hydroxynaphthalen-2-yl)ethyl-methylamino]-N-methylpropanamide has a molecular weight of 286.38 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-hydroxynaphthalen-2-yl)ethyl-methylamino]-N-methylpropanamide is sourced from PubChem (CID 105400787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).