3-amino-N-(5-hydroxynaphthalen-1-yl)butanamide

C14H16N2O2 — CID 60841593

IUPAC3-amino-N-(5-hydroxynaphthalen-1-yl)butanamide
SMILESCC(N)CC(=O)Nc1cccc2c(O)cccc12
InChIInChI=1S/C14H16N2O2/c1-9(15)8-14(18)16-12-6-2-5-11-10(12)4-3-7-13(11)17/h2-7,9,17H,8,15H2,1H3,(H,16,18)
InChIKeyIILGSXHXPKLSJX-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.22
Rot. Bonds3

About 3-amino-N-(5-hydroxynaphthalen-1-yl)butanamide

3-amino-N-(5-hydroxynaphthalen-1-yl)butanamide (PubChem CID 60841593) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-amino-N-(5-hydroxynaphthalen-1-yl)butanamide.

Molecular Properties

Compound Name3-amino-N-(5-hydroxynaphthalen-1-yl)butanamide
PubChem CID60841593
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name3-amino-N-(5-hydroxynaphthalen-1-yl)butanamide
SMILESCC(N)CC(=O)Nc1cccc2c(O)cccc12
InChIInChI=1S/C14H16N2O2/c1-9(15)8-14(18)16-12-6-2-5-11-10(12)4-3-7-13(11)17/h2-7,9,17H,8,15H2,1H3,(H,16,18)
InChIKeyIILGSXHXPKLSJX-UHFFFAOYSA-N
XLogP2.22
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-hydroxynaphthalen-1-yl)propanamide
CID 12882754
(2S)-2-amino-N-(5-hydroxynaphthalen-1-yl)-3-methylbutanamide
CID 61180078
3-[(5-hydroxynaphthalen-1-yl)amino]-3-oxopropanoic acid
CID 62231947
(2S,3S)-2-amino-N-(5-hydroxynaphthalen-1-yl)-3-methylpentanamide
CID 61180080
3-chloro-N-(5-hydroxynaphthalen-1-yl)-2-methylpropanamide
CID 62726815
2-amino-N-[2-[(5-hydroxynaphthalen-1-yl)amino]-2-oxoethyl]acetamide
CID 60849261
3-amino-N-(2-tert-butylphenyl)butanamide;hydrochloride
CID 119399933
3-amino-N-(5-chloro-2-hydroxyphenyl)butanamide
CID 120872763
(2S)-2-amino-N-(4-hydroxynaphthalen-1-yl)propanamide;hydrochloride
CID 46179715
3-amino-N-(3-hydroxyphenyl)butanamide
CID 61165718
3-amino-N-(4-chloro-2-hydroxyphenyl)butanamide;hydrochloride
CID 120873520
2-(2-aminoethoxy)-N-(5-hydroxynaphthalen-1-yl)acetamide
CID 79473649

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-hydroxynaphthalen-1-yl)butanamide?
The IUPAC name of 3-amino-N-(5-hydroxynaphthalen-1-yl)butanamide (CID 60841593) is 3-amino-N-(5-hydroxynaphthalen-1-yl)butanamide.
What is the SMILES notation for 3-amino-N-(5-hydroxynaphthalen-1-yl)butanamide?
The canonical SMILES for 3-amino-N-(5-hydroxynaphthalen-1-yl)butanamide is CC(N)CC(=O)Nc1cccc2c(O)cccc12.
What is the InChIKey of 3-amino-N-(5-hydroxynaphthalen-1-yl)butanamide?
The InChIKey is IILGSXHXPKLSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-9(15)8-14(18)16-12-6-2-5-11-10(12)4-3-7-13(11)17/h2-7,9,17H,8,15H2,1H3,(H,16,18).
What are the key properties of 3-amino-N-(5-hydroxynaphthalen-1-yl)butanamide?
3-amino-N-(5-hydroxynaphthalen-1-yl)butanamide has a molecular weight of 244.29 g/mol, XLogP of 2.22, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5-hydroxynaphthalen-1-yl)butanamide is sourced from PubChem (CID 60841593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).