5-amino-2-ethenyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide

C21H20N2O — CID 156907271

IUPAC5-amino-2-ethenyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
SMILESC=Cc1ccc(N)cc1C(=O)N[C@H](C)c1cccc2ccccc12
InChIInChI=1S/C21H20N2O/c1-3-15-11-12-17(22)13-20(15)21(24)23-14(2)18-10-6-8-16-7-4-5-9-19(16)18/h3-14H,1,22H2,2H3,(H,23,24)/t14-/m1/s1
InChIKeyWQEATFCIDMQALR-CQSZACIVSA-N
MW316.40 g/mol
LogP4.56
Rot. Bonds4

About 5-amino-2-ethenyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide

5-amino-2-ethenyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide (PubChem CID 156907271) has the molecular formula C21H20N2O and a molecular weight of 316.40 g/mol. Its IUPAC name is 5-amino-2-ethenyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide.

Molecular Properties

Compound Name5-amino-2-ethenyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
PubChem CID156907271
Molecular FormulaC21H20N2O
Molecular Weight316.40 g/mol
Exact Mass316.16
IUPAC Name5-amino-2-ethenyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
SMILESC=Cc1ccc(N)cc1C(=O)N[C@H](C)c1cccc2ccccc12
InChIInChI=1S/C21H20N2O/c1-3-15-11-12-17(22)13-20(15)21(24)23-14(2)18-10-6-8-16-7-4-5-9-19(16)18/h3-14H,1,22H2,2H3,(H,23,24)/t14-/m1/s1
InChIKeyWQEATFCIDMQALR-CQSZACIVSA-N
XLogP4.56
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-2-ethenyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide?
The IUPAC name of 5-amino-2-ethenyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide (CID 156907271) is 5-amino-2-ethenyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide.
What is the SMILES notation for 5-amino-2-ethenyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide?
The canonical SMILES for 5-amino-2-ethenyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide is C=Cc1ccc(N)cc1C(=O)N[C@H](C)c1cccc2ccccc12.
What is the InChIKey of 5-amino-2-ethenyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide?
The InChIKey is WQEATFCIDMQALR-CQSZACIVSA-N. The full InChI is InChI=1S/C21H20N2O/c1-3-15-11-12-17(22)13-20(15)21(24)23-14(2)18-10-6-8-16-7-4-5-9-19(16)18/h3-14H,1,22H2,2H3,(H,23,24)/t14-/m1/s1.
What are the key properties of 5-amino-2-ethenyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide?
5-amino-2-ethenyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide has a molecular weight of 316.40 g/mol, XLogP of 4.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-ethenyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide is sourced from PubChem (CID 156907271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).