(2S)-2-amino-3-(4-hydroxyphenyl)-N-(4-naphthalen-2-yloxybutyl)propanamide

C23H26N2O3 — CID 91386192

IUPAC(2S)-2-amino-3-(4-hydroxyphenyl)-N-(4-naphthalen-2-yloxybutyl)propanamide
SMILESN[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCOc1ccc2ccccc2c1
InChIInChI=1S/C23H26N2O3/c24-22(15-17-7-10-20(26)11-8-17)23(27)25-13-3-4-14-28-21-12-9-18-5-1-2-6-19(18)16-21/h1-2,5-12,16,22,26H,3-4,13-15,24H2,(H,25,27)/t22-/m0/s1
InChIKeyBCTQYWUNCHQEFI-QFIPXVFZSA-N
MW378.47 g/mol
LogP3.39
Rot. Bonds9

About (2S)-2-amino-3-(4-hydroxyphenyl)-N-(4-naphthalen-2-yloxybutyl)propanamide

(2S)-2-amino-3-(4-hydroxyphenyl)-N-(4-naphthalen-2-yloxybutyl)propanamide (PubChem CID 91386192) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is (2S)-2-amino-3-(4-hydroxyphenyl)-N-(4-naphthalen-2-yloxybutyl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-(4-hydroxyphenyl)-N-(4-naphthalen-2-yloxybutyl)propanamide
PubChem CID91386192
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name(2S)-2-amino-3-(4-hydroxyphenyl)-N-(4-naphthalen-2-yloxybutyl)propanamide
SMILESN[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCOc1ccc2ccccc2c1
InChIInChI=1S/C23H26N2O3/c24-22(15-17-7-10-20(26)11-8-17)23(27)25-13-3-4-14-28-21-12-9-18-5-1-2-6-19(18)16-21/h1-2,5-12,16,22,26H,3-4,13-15,24H2,(H,25,27)/t22-/m0/s1
InChIKeyBCTQYWUNCHQEFI-QFIPXVFZSA-N
XLogP3.39
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[4-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]butoxy]-N-[2-(3-hydroxypropylamino)-2-oxoethyl]naphthalene-1-carboxamide
CID 90718151
(2S)-2-amino-N-(3-phenoxypropyl)-3-(4-phenylmethoxyphenyl)propanamide
CID 131720927
N-(5-naphthalen-2-yloxypentyl)acetamide
CID 175828319
(2R)-2-amino-N-(4-aminobutyl)-3-(4-hydroxyphenyl)propanamide
CID 104904980
2-amino-N-(3-butoxypropyl)-3-(4-hydroxyphenyl)propanamide
CID 114350754
(2S)-2-amino-N-[4-[2-[2-(carbamoylamino)-2-oxoethyl]phenoxy]butyl]-3-(4-hydroxyphenyl)propanamide
CID 90930744
(2R)-2-amino-N-(3-ethoxypropyl)-3-(4-hydroxyphenyl)propanamide
CID 104904634
(2R)-2-amino-3-(4-hydroxyphenyl)-N-(5-methylhexyl)propanamide
CID 104905427
methyl 4-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]butanoate
CID 104904977
(2R)-2-amino-N-(5-methoxypentyl)-3-phenylpropanamide
CID 103796033
(2R)-2-amino-N-(2-phenoxyethyl)-3-phenylpropanamide
CID 78984684
2-amino-N-hydroxy-3-(4-naphthalen-2-yloxyphenyl)propanamide
CID 23148265

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(4-hydroxyphenyl)-N-(4-naphthalen-2-yloxybutyl)propanamide?
The IUPAC name of (2S)-2-amino-3-(4-hydroxyphenyl)-N-(4-naphthalen-2-yloxybutyl)propanamide (CID 91386192) is (2S)-2-amino-3-(4-hydroxyphenyl)-N-(4-naphthalen-2-yloxybutyl)propanamide.
What is the SMILES notation for (2S)-2-amino-3-(4-hydroxyphenyl)-N-(4-naphthalen-2-yloxybutyl)propanamide?
The canonical SMILES for (2S)-2-amino-3-(4-hydroxyphenyl)-N-(4-naphthalen-2-yloxybutyl)propanamide is N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCOc1ccc2ccccc2c1.
What is the InChIKey of (2S)-2-amino-3-(4-hydroxyphenyl)-N-(4-naphthalen-2-yloxybutyl)propanamide?
The InChIKey is BCTQYWUNCHQEFI-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H26N2O3/c24-22(15-17-7-10-20(26)11-8-17)23(27)25-13-3-4-14-28-21-12-9-18-5-1-2-6-19(18)16-21/h1-2,5-12,16,22,26H,3-4,13-15,24H2,(H,25,27)/t22-/m0/s1.
What are the key properties of (2S)-2-amino-3-(4-hydroxyphenyl)-N-(4-naphthalen-2-yloxybutyl)propanamide?
(2S)-2-amino-3-(4-hydroxyphenyl)-N-(4-naphthalen-2-yloxybutyl)propanamide has a molecular weight of 378.47 g/mol, XLogP of 3.39, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(4-hydroxyphenyl)-N-(4-naphthalen-2-yloxybutyl)propanamide is sourced from PubChem (CID 91386192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).