(2S)-2-amino-4-hydroxy-N-(4-octylphenyl)butanamide

C18H30N2O2 — CID 45483175

IUPAC(2S)-2-amino-4-hydroxy-N-(4-octylphenyl)butanamide
SMILESCCCCCCCCc1ccc(NC(=O)[C@@H](N)CCO)cc1
InChIInChI=1S/C18H30N2O2/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)20-18(22)17(19)13-14-21/h9-12,17,21H,2-8,13-14,19H2,1H3,(H,20,22)/t17-/m0/s1
InChIKeyQJTVTVAQRCRXSM-KRWDZBQOSA-N
MW306.45 g/mol
LogP3.24
Rot. Bonds11

About (2S)-2-amino-4-hydroxy-N-(4-octylphenyl)butanamide

(2S)-2-amino-4-hydroxy-N-(4-octylphenyl)butanamide (PubChem CID 45483175) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is (2S)-2-amino-4-hydroxy-N-(4-octylphenyl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-hydroxy-N-(4-octylphenyl)butanamide
PubChem CID45483175
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC Name(2S)-2-amino-4-hydroxy-N-(4-octylphenyl)butanamide
SMILESCCCCCCCCc1ccc(NC(=O)[C@@H](N)CCO)cc1
InChIInChI=1S/C18H30N2O2/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)20-18(22)17(19)13-14-21/h9-12,17,21H,2-8,13-14,19H2,1H3,(H,20,22)/t17-/m0/s1
InChIKeyQJTVTVAQRCRXSM-KRWDZBQOSA-N
XLogP3.24
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 53.24
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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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-hydroxy-N-(4-octylphenyl)butanamide?
The IUPAC name of (2S)-2-amino-4-hydroxy-N-(4-octylphenyl)butanamide (CID 45483175) is (2S)-2-amino-4-hydroxy-N-(4-octylphenyl)butanamide.
What is the SMILES notation for (2S)-2-amino-4-hydroxy-N-(4-octylphenyl)butanamide?
The canonical SMILES for (2S)-2-amino-4-hydroxy-N-(4-octylphenyl)butanamide is CCCCCCCCc1ccc(NC(=O)[C@@H](N)CCO)cc1.
What is the InChIKey of (2S)-2-amino-4-hydroxy-N-(4-octylphenyl)butanamide?
The InChIKey is QJTVTVAQRCRXSM-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)20-18(22)17(19)13-14-21/h9-12,17,21H,2-8,13-14,19H2,1H3,(H,20,22)/t17-/m0/s1.
What are the key properties of (2S)-2-amino-4-hydroxy-N-(4-octylphenyl)butanamide?
(2S)-2-amino-4-hydroxy-N-(4-octylphenyl)butanamide has a molecular weight of 306.45 g/mol, XLogP of 3.24, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-hydroxy-N-(4-octylphenyl)butanamide is sourced from PubChem (CID 45483175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).