3-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-N-phenylbutanamide

C22H24N2O2 — CID 111755518

IUPAC3-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-N-phenylbutanamide
SMILESCC(CC(=O)Nc1ccccc1)NCC(O)c1ccc2ccccc2c1
InChIInChI=1S/C22H24N2O2/c1-16(13-22(26)24-20-9-3-2-4-10-20)23-15-21(25)19-12-11-17-7-5-6-8-18(17)14-19/h2-12,14,16,21,23,25H,13,15H2,1H3,(H,24,26)
InChIKeyKPOXUJMZGWCBBH-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.88
Rot. Bonds7

About 3-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-N-phenylbutanamide

3-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-N-phenylbutanamide (PubChem CID 111755518) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 3-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-N-phenylbutanamide.

Molecular Properties

Compound Name3-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-N-phenylbutanamide
PubChem CID111755518
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name3-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-N-phenylbutanamide
SMILESCC(CC(=O)Nc1ccccc1)NCC(O)c1ccc2ccccc2c1
InChIInChI=1S/C22H24N2O2/c1-16(13-22(26)24-20-9-3-2-4-10-20)23-15-21(25)19-12-11-17-7-5-6-8-18(17)14-19/h2-12,14,16,21,23,25H,13,15H2,1H3,(H,24,26)
InChIKeyKPOXUJMZGWCBBH-UHFFFAOYSA-N
XLogP3.88
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-[[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]amino]butanoic acid
CID 125470025
2-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-N-methylpropanamide
CID 61464613
3-(2,2-difluoroethylamino)-N-phenylbutanamide
CID 114244264
3-(2-methylbutylamino)-N-phenylbutanamide
CID 114244260
3-[(2-hydroxy-3-methoxypropyl)amino]-N-phenylbutanamide
CID 111755628
(1R)-2-[[(2S)-3,3-dimethylbutan-2-yl]amino]-1-naphthalen-2-ylethanol
CID 124562243
N-(2-hydroxy-2-naphthalen-2-ylethyl)-2-methylpropanamide
CID 111112159
(1S)-2-[[(2R)-but-3-en-2-yl]amino]-1-naphthalen-2-ylethanol
CID 124593834
(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
(3R)-3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-phenylbutanamide
CID 97018627
(3S)-N-phenyl-3-(2-phenylethylamino)butanamide
CID 97019379

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-N-phenylbutanamide?
The IUPAC name of 3-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-N-phenylbutanamide (CID 111755518) is 3-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-N-phenylbutanamide.
What is the SMILES notation for 3-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-N-phenylbutanamide?
The canonical SMILES for 3-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-N-phenylbutanamide is CC(CC(=O)Nc1ccccc1)NCC(O)c1ccc2ccccc2c1.
What is the InChIKey of 3-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-N-phenylbutanamide?
The InChIKey is KPOXUJMZGWCBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-16(13-22(26)24-20-9-3-2-4-10-20)23-15-21(25)19-12-11-17-7-5-6-8-18(17)14-19/h2-12,14,16,21,23,25H,13,15H2,1H3,(H,24,26).
What are the key properties of 3-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-N-phenylbutanamide?
3-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-N-phenylbutanamide has a molecular weight of 348.45 g/mol, XLogP of 3.88, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-N-phenylbutanamide is sourced from PubChem (CID 111755518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).