5-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]pentanamide

C17H22N2O2 — CID 106237033

IUPAC5-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]pentanamide
SMILESNC(=O)CCCCNCC(O)c1ccc2ccccc2c1
InChIInChI=1S/C17H22N2O2/c18-17(21)7-3-4-10-19-12-16(20)15-9-8-13-5-1-2-6-14(13)11-15/h1-2,5-6,8-9,11,16,19-20H,3-4,7,10,12H2,(H2,18,21)
InChIKeyCWCFMLJJTVRKAQ-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.12
Rot. Bonds8

About 5-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]pentanamide

5-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]pentanamide (PubChem CID 106237033) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 5-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]pentanamide.

Molecular Properties

Compound Name5-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]pentanamide
PubChem CID106237033
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name5-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]pentanamide
SMILESNC(=O)CCCCNCC(O)c1ccc2ccccc2c1
InChIInChI=1S/C17H22N2O2/c18-17(21)7-3-4-10-19-12-16(20)15-9-8-13-5-1-2-6-14(13)11-15/h1-2,5-6,8-9,11,16,19-20H,3-4,7,10,12H2,(H2,18,21)
InChIKeyCWCFMLJJTVRKAQ-UHFFFAOYSA-N
XLogP2.12
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]propan-1-ol
CID 60909589
2-(4-methoxybutylamino)-1-naphthalen-2-ylethanol
CID 60969599
2-(3-methoxypropylamino)-1-naphthalen-2-ylethanol
CID 60900061
2-(3-methylsulfanylpropylamino)-1-naphthalen-2-ylethanol
CID 63966471
2-(2-methylsulfonylethylamino)-1-naphthalen-2-ylethanol
CID 60918702
2-(2-methoxyethylamino)-1-naphthalen-2-ylethanol
CID 60903871
4-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]butanamide
CID 54937560
(1R)-2-(benzylamino)-1-naphthalen-2-ylethanol
CID 93383727
hexanediamide;naphthalene
CID 175366237
2-(2,2-dimethylpropylamino)-1-naphthalen-2-ylethanol
CID 61167220
N,8-dihydroxy-8-naphthalen-2-yloctanamide
CID 11044829
4-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-1-methoxybutan-2-ol
CID 106246545

Frequently Asked Questions

What is the IUPAC name of 5-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]pentanamide?
The IUPAC name of 5-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]pentanamide (CID 106237033) is 5-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]pentanamide.
What is the SMILES notation for 5-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]pentanamide?
The canonical SMILES for 5-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]pentanamide is NC(=O)CCCCNCC(O)c1ccc2ccccc2c1.
What is the InChIKey of 5-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]pentanamide?
The InChIKey is CWCFMLJJTVRKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c18-17(21)7-3-4-10-19-12-16(20)15-9-8-13-5-1-2-6-14(13)11-15/h1-2,5-6,8-9,11,16,19-20H,3-4,7,10,12H2,(H2,18,21).
What are the key properties of 5-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]pentanamide?
5-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]pentanamide has a molecular weight of 286.38 g/mol, XLogP of 2.12, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]pentanamide is sourced from PubChem (CID 106237033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).