5-[hept-1-en-4-yl(methyl)amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide

C28H34N2O — CID 178174489

IUPAC5-[hept-1-en-4-yl(methyl)amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
SMILESC=CCC(CCC)N(C)c1ccc(C)c(C(=O)N[C@H](C)c2cccc3ccccc23)c1
InChIInChI=1S/C28H34N2O/c1-6-11-23(12-7-2)30(5)24-18-17-20(3)27(19-24)28(31)29-21(4)25-16-10-14-22-13-8-9-15-26(22)25/h6,8-10,13-19,21,23H,1,7,11-12H2,2-5H3,(H,29,31)/t21-,23?/m1/s1
InChIKeyCTNBMPMKEYHGOQ-FKHAVUOCSA-N
MW414.59 g/mol
LogP6.82
Rot. Bonds9

About 5-[hept-1-en-4-yl(methyl)amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide

5-[hept-1-en-4-yl(methyl)amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide (PubChem CID 178174489) has the molecular formula C28H34N2O and a molecular weight of 414.59 g/mol. Its IUPAC name is 5-[hept-1-en-4-yl(methyl)amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide.

Molecular Properties

Compound Name5-[hept-1-en-4-yl(methyl)amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
PubChem CID178174489
Molecular FormulaC28H34N2O
Molecular Weight414.59 g/mol
Exact Mass414.27
IUPAC Name5-[hept-1-en-4-yl(methyl)amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
SMILESC=CCC(CCC)N(C)c1ccc(C)c(C(=O)N[C@H](C)c2cccc3ccccc23)c1
InChIInChI=1S/C28H34N2O/c1-6-11-23(12-7-2)30(5)24-18-17-20(3)27(19-24)28(31)29-21(4)25-16-10-14-22-13-8-9-15-26(22)25/h6,8-10,13-19,21,23H,1,7,11-12H2,2-5H3,(H,29,31)/t21-,23?/m1/s1
InChIKeyCTNBMPMKEYHGOQ-FKHAVUOCSA-N
XLogP6.82
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.59
LogP ≤ 56.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[hept-1-en-4-yl(methyl)amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide?
The IUPAC name of 5-[hept-1-en-4-yl(methyl)amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide (CID 178174489) is 5-[hept-1-en-4-yl(methyl)amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide.
What is the SMILES notation for 5-[hept-1-en-4-yl(methyl)amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide?
The canonical SMILES for 5-[hept-1-en-4-yl(methyl)amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide is C=CCC(CCC)N(C)c1ccc(C)c(C(=O)N[C@H](C)c2cccc3ccccc23)c1.
What is the InChIKey of 5-[hept-1-en-4-yl(methyl)amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide?
The InChIKey is CTNBMPMKEYHGOQ-FKHAVUOCSA-N. The full InChI is InChI=1S/C28H34N2O/c1-6-11-23(12-7-2)30(5)24-18-17-20(3)27(19-24)28(31)29-21(4)25-16-10-14-22-13-8-9-15-26(22)25/h6,8-10,13-19,21,23H,1,7,11-12H2,2-5H3,(H,29,31)/t21-,23?/m1/s1.
What are the key properties of 5-[hept-1-en-4-yl(methyl)amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide?
5-[hept-1-en-4-yl(methyl)amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide has a molecular weight of 414.59 g/mol, XLogP of 6.82, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[hept-1-en-4-yl(methyl)amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide is sourced from PubChem (CID 178174489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).