2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-5-(prop-2-enoylamino)benzamide

C23H22N2O2 — CID 146681430

IUPAC2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-5-(prop-2-enoylamino)benzamide
SMILESC=CC(=O)Nc1ccc(C)c(C(=O)N[C@H](C)c2cccc3ccccc23)c1
InChIInChI=1S/C23H22N2O2/c1-4-22(26)25-18-13-12-15(2)21(14-18)23(27)24-16(3)19-11-7-9-17-8-5-6-10-20(17)19/h4-14,16H,1H2,2-3H3,(H,24,27)(H,25,26)/t16-/m1/s1
InChIKeyQMJFETCLZITVFG-MRXNPFEDSA-N
MW358.44 g/mol
LogP4.76
Rot. Bonds5

About 2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-5-(prop-2-enoylamino)benzamide

2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-5-(prop-2-enoylamino)benzamide (PubChem CID 146681430) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is 2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-5-(prop-2-enoylamino)benzamide.

Molecular Properties

Compound Name2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-5-(prop-2-enoylamino)benzamide
PubChem CID146681430
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC Name2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-5-(prop-2-enoylamino)benzamide
SMILESC=CC(=O)Nc1ccc(C)c(C(=O)N[C@H](C)c2cccc3ccccc23)c1
InChIInChI=1S/C23H22N2O2/c1-4-22(26)25-18-13-12-15(2)21(14-18)23(27)24-16(3)19-11-7-9-17-8-5-6-10-20(17)19/h4-14,16H,1H2,2-3H3,(H,24,27)(H,25,26)/t16-/m1/s1
InChIKeyQMJFETCLZITVFG-MRXNPFEDSA-N
XLogP4.76
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-5-(prop-2-enoylamino)benzamide?
The IUPAC name of 2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-5-(prop-2-enoylamino)benzamide (CID 146681430) is 2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-5-(prop-2-enoylamino)benzamide.
What is the SMILES notation for 2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-5-(prop-2-enoylamino)benzamide?
The canonical SMILES for 2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-5-(prop-2-enoylamino)benzamide is C=CC(=O)Nc1ccc(C)c(C(=O)N[C@H](C)c2cccc3ccccc23)c1.
What is the InChIKey of 2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-5-(prop-2-enoylamino)benzamide?
The InChIKey is QMJFETCLZITVFG-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H22N2O2/c1-4-22(26)25-18-13-12-15(2)21(14-18)23(27)24-16(3)19-11-7-9-17-8-5-6-10-20(17)19/h4-14,16H,1H2,2-3H3,(H,24,27)(H,25,26)/t16-/m1/s1.
What are the key properties of 2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-5-(prop-2-enoylamino)benzamide?
2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-5-(prop-2-enoylamino)benzamide has a molecular weight of 358.44 g/mol, XLogP of 4.76, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-5-(prop-2-enoylamino)benzamide is sourced from PubChem (CID 146681430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).