5-amino-N-[(1R)-3-hydroxy-1-naphthalen-1-ylpropyl]-2-methylbenzamide

C21H22N2O2 — CID 156907285

IUPAC5-amino-N-[(1R)-3-hydroxy-1-naphthalen-1-ylpropyl]-2-methylbenzamide
SMILESCc1ccc(N)cc1C(=O)N[C@H](CCO)c1cccc2ccccc12
InChIInChI=1S/C21H22N2O2/c1-14-9-10-16(22)13-19(14)21(25)23-20(11-12-24)18-8-4-6-15-5-2-3-7-17(15)18/h2-10,13,20,24H,11-12,22H2,1H3,(H,23,25)/t20-/m1/s1
InChIKeyXSMPDZUYMULARD-HXUWFJFHSA-N
MW334.42 g/mol
LogP3.58
Rot. Bonds5

About 5-amino-N-[(1R)-3-hydroxy-1-naphthalen-1-ylpropyl]-2-methylbenzamide

5-amino-N-[(1R)-3-hydroxy-1-naphthalen-1-ylpropyl]-2-methylbenzamide (PubChem CID 156907285) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 5-amino-N-[(1R)-3-hydroxy-1-naphthalen-1-ylpropyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-amino-N-[(1R)-3-hydroxy-1-naphthalen-1-ylpropyl]-2-methylbenzamide
PubChem CID156907285
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name5-amino-N-[(1R)-3-hydroxy-1-naphthalen-1-ylpropyl]-2-methylbenzamide
SMILESCc1ccc(N)cc1C(=O)N[C@H](CCO)c1cccc2ccccc12
InChIInChI=1S/C21H22N2O2/c1-14-9-10-16(22)13-19(14)21(25)23-20(11-12-24)18-8-4-6-15-5-2-3-7-17(15)18/h2-10,13,20,24H,11-12,22H2,1H3,(H,23,25)/t20-/m1/s1
InChIKeyXSMPDZUYMULARD-HXUWFJFHSA-N
XLogP3.58
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(1R)-3-hydroxy-1-naphthalen-1-ylpropyl]-2-methylbenzamide?
The IUPAC name of 5-amino-N-[(1R)-3-hydroxy-1-naphthalen-1-ylpropyl]-2-methylbenzamide (CID 156907285) is 5-amino-N-[(1R)-3-hydroxy-1-naphthalen-1-ylpropyl]-2-methylbenzamide.
What is the SMILES notation for 5-amino-N-[(1R)-3-hydroxy-1-naphthalen-1-ylpropyl]-2-methylbenzamide?
The canonical SMILES for 5-amino-N-[(1R)-3-hydroxy-1-naphthalen-1-ylpropyl]-2-methylbenzamide is Cc1ccc(N)cc1C(=O)N[C@H](CCO)c1cccc2ccccc12.
What is the InChIKey of 5-amino-N-[(1R)-3-hydroxy-1-naphthalen-1-ylpropyl]-2-methylbenzamide?
The InChIKey is XSMPDZUYMULARD-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-14-9-10-16(22)13-19(14)21(25)23-20(11-12-24)18-8-4-6-15-5-2-3-7-17(15)18/h2-10,13,20,24H,11-12,22H2,1H3,(H,23,25)/t20-/m1/s1.
What are the key properties of 5-amino-N-[(1R)-3-hydroxy-1-naphthalen-1-ylpropyl]-2-methylbenzamide?
5-amino-N-[(1R)-3-hydroxy-1-naphthalen-1-ylpropyl]-2-methylbenzamide has a molecular weight of 334.42 g/mol, XLogP of 3.58, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(1R)-3-hydroxy-1-naphthalen-1-ylpropyl]-2-methylbenzamide is sourced from PubChem (CID 156907285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).