4-amino-2-hydroxy-N-(naphthalen-1-ylmethyl)butanamide

C15H18N2O2 — CID 83319512

IUPAC4-amino-2-hydroxy-N-(naphthalen-1-ylmethyl)butanamide
SMILESNCCC(O)C(=O)NCc1cccc2ccccc12
InChIInChI=1S/C15H18N2O2/c16-9-8-14(18)15(19)17-10-12-6-3-5-11-4-1-2-7-13(11)12/h1-7,14,18H,8-10,16H2,(H,17,19)
InChIKeyIMFCSINVUGYDPO-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.17
Rot. Bonds5

About 4-amino-2-hydroxy-N-(naphthalen-1-ylmethyl)butanamide

4-amino-2-hydroxy-N-(naphthalen-1-ylmethyl)butanamide (PubChem CID 83319512) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-amino-2-hydroxy-N-(naphthalen-1-ylmethyl)butanamide.

Molecular Properties

Compound Name4-amino-2-hydroxy-N-(naphthalen-1-ylmethyl)butanamide
PubChem CID83319512
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name4-amino-2-hydroxy-N-(naphthalen-1-ylmethyl)butanamide
SMILESNCCC(O)C(=O)NCc1cccc2ccccc12
InChIInChI=1S/C15H18N2O2/c16-9-8-14(18)15(19)17-10-12-6-3-5-11-4-1-2-7-13(11)12/h1-7,14,18H,8-10,16H2,(H,17,19)
InChIKeyIMFCSINVUGYDPO-UHFFFAOYSA-N
XLogP1.17
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(naphthalen-1-ylmethyl)acetamide
CID 62369786
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CID 62368287
2-amino-3-methyl-N-(naphthalen-1-ylmethyl)pentanamide
CID 62368637
2-fluoro-N-(naphthalen-1-ylmethyl)acetamide
CID 141003098
2-methyl-3-(methylamino)-N-(naphthalen-1-ylmethyl)propanamide;hydrochloride
CID 119709567
2-amino-3-methyl-N-(naphthalen-1-ylmethyl)pentanamide;hydrochloride
CID 119709573
(3R)-3-amino-4-ethylsulfanyl-2-hydroxy-N-(naphthalen-1-ylmethyl)butanamide
CID 70065921
3-(ethylamino)-2-methyl-N-(naphthalen-1-ylmethyl)propanamide
CID 62839648
1-naphthalen-1-yl-3-(naphthalen-1-ylmethyl)urea
CID 27185701
N-(4-aminobutyl)-2-naphthalen-1-ylacetamide
CID 14751500
N-(naphthalen-1-ylmethyl)-2-phenylsulfanylpropanamide
CID 133218931
N-(naphthalen-1-ylmethyl)-4-oxopentanamide
CID 62063999

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-hydroxy-N-(naphthalen-1-ylmethyl)butanamide?
The IUPAC name of 4-amino-2-hydroxy-N-(naphthalen-1-ylmethyl)butanamide (CID 83319512) is 4-amino-2-hydroxy-N-(naphthalen-1-ylmethyl)butanamide.
What is the SMILES notation for 4-amino-2-hydroxy-N-(naphthalen-1-ylmethyl)butanamide?
The canonical SMILES for 4-amino-2-hydroxy-N-(naphthalen-1-ylmethyl)butanamide is NCCC(O)C(=O)NCc1cccc2ccccc12.
What is the InChIKey of 4-amino-2-hydroxy-N-(naphthalen-1-ylmethyl)butanamide?
The InChIKey is IMFCSINVUGYDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c16-9-8-14(18)15(19)17-10-12-6-3-5-11-4-1-2-7-13(11)12/h1-7,14,18H,8-10,16H2,(H,17,19).
What are the key properties of 4-amino-2-hydroxy-N-(naphthalen-1-ylmethyl)butanamide?
4-amino-2-hydroxy-N-(naphthalen-1-ylmethyl)butanamide has a molecular weight of 258.32 g/mol, XLogP of 1.17, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-hydroxy-N-(naphthalen-1-ylmethyl)butanamide is sourced from PubChem (CID 83319512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).