2-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-N-methylpropanamide

C16H20N2O2 — CID 61464613

IUPAC2-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-N-methylpropanamide
SMILESCNC(=O)C(C)NCC(O)c1ccc2ccccc2c1
InChIInChI=1S/C16H20N2O2/c1-11(16(20)17-2)18-10-15(19)14-8-7-12-5-3-4-6-13(12)9-14/h3-9,11,15,18-19H,10H2,1-2H3,(H,17,20)
InChIKeyZPSPYLAKTCDPSR-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.60
Rot. Bonds5

About 2-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-N-methylpropanamide

2-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-N-methylpropanamide (PubChem CID 61464613) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-N-methylpropanamide
PubChem CID61464613
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-N-methylpropanamide
SMILESCNC(=O)C(C)NCC(O)c1ccc2ccccc2c1
InChIInChI=1S/C16H20N2O2/c1-11(16(20)17-2)18-10-15(19)14-8-7-12-5-3-4-6-13(12)9-14/h3-9,11,15,18-19H,10H2,1-2H3,(H,17,20)
InChIKeyZPSPYLAKTCDPSR-UHFFFAOYSA-N
XLogP1.60
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-2-naphthalen-2-ylethyl)-2-methylpropanamide
CID 111112159
(3R)-3-[[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]amino]butanoic acid
CID 125470025
(1R)-2-[[(2S)-3,3-dimethylbutan-2-yl]amino]-1-naphthalen-2-ylethanol
CID 124562243
3-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-N-phenylbutanamide
CID 111755518
(2S)-2-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-3-methylbutan-1-ol
CID 79250265
(1R)-2-[[(2S)-but-3-en-2-yl]amino]-1-naphthalen-2-ylethanol
CID 124593831
(1S)-2-[[(2R)-but-3-en-2-yl]amino]-1-naphthalen-2-ylethanol
CID 124593834
2-[[(1S)-1-cyclopentylethyl]amino]-1-naphthalen-2-ylethanol
CID 81390203
2-(2,2-diphenylethylamino)-N-methylpropanamide
CID 103603774
2-(dimethylamino)-N-(2-hydroxy-2-naphthalen-2-ylethyl)-3-methylbutanamide
CID 111112176
2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-N-methylpropanamide
CID 54950525
2-(2-cyclopropylpropylamino)-1-naphthalen-2-ylethanol
CID 115591800

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-N-methylpropanamide?
The IUPAC name of 2-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-N-methylpropanamide (CID 61464613) is 2-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-N-methylpropanamide.
What is the SMILES notation for 2-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-N-methylpropanamide?
The canonical SMILES for 2-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-N-methylpropanamide is CNC(=O)C(C)NCC(O)c1ccc2ccccc2c1.
What is the InChIKey of 2-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-N-methylpropanamide?
The InChIKey is ZPSPYLAKTCDPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-11(16(20)17-2)18-10-15(19)14-8-7-12-5-3-4-6-13(12)9-14/h3-9,11,15,18-19H,10H2,1-2H3,(H,17,20).
What are the key properties of 2-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-N-methylpropanamide?
2-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-N-methylpropanamide has a molecular weight of 272.35 g/mol, XLogP of 1.60, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-N-methylpropanamide is sourced from PubChem (CID 61464613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).