N-(1-amino-1-oxohexan-2-yl)-2-[(E)-2-[4-[(dimethylamino)methyl]phenyl]ethenyl]benzamide

C24H31N3O2 — CID 10069167

IUPACN-(1-amino-1-oxohexan-2-yl)-2-[(E)-2-[4-[(dimethylamino)methyl]phenyl]ethenyl]benzamide
SMILESCCCCC(NC(=O)c1ccccc1/C=C/c1ccc(CN(C)C)cc1)C(N)=O
InChIInChI=1S/C24H31N3O2/c1-4-5-10-22(23(25)28)26-24(29)21-9-7-6-8-20(21)16-15-18-11-13-19(14-12-18)17-27(2)3/h6-9,11-16,22H,4-5,10,17H2,1-3H3,(H2,25,28)(H,26,29)/b16-15+
InChIKeyPVEWYPRSIGWUAA-FOCLMDBBSA-N
MW393.53 g/mol
LogP3.69
Rot. Bonds10

About N-(1-amino-1-oxohexan-2-yl)-2-[(E)-2-[4-[(dimethylamino)methyl]phenyl]ethenyl]benzamide

N-(1-amino-1-oxohexan-2-yl)-2-[(E)-2-[4-[(dimethylamino)methyl]phenyl]ethenyl]benzamide (PubChem CID 10069167) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is N-(1-amino-1-oxohexan-2-yl)-2-[(E)-2-[4-[(dimethylamino)methyl]phenyl]ethenyl]benzamide.

Molecular Properties

Compound NameN-(1-amino-1-oxohexan-2-yl)-2-[(E)-2-[4-[(dimethylamino)methyl]phenyl]ethenyl]benzamide
PubChem CID10069167
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC NameN-(1-amino-1-oxohexan-2-yl)-2-[(E)-2-[4-[(dimethylamino)methyl]phenyl]ethenyl]benzamide
SMILESCCCCC(NC(=O)c1ccccc1/C=C/c1ccc(CN(C)C)cc1)C(N)=O
InChIInChI=1S/C24H31N3O2/c1-4-5-10-22(23(25)28)26-24(29)21-9-7-6-8-20(21)16-15-18-11-13-19(14-12-18)17-27(2)3/h6-9,11-16,22H,4-5,10,17H2,1-3H3,(H2,25,28)(H,26,29)/b16-15+
InChIKeyPVEWYPRSIGWUAA-FOCLMDBBSA-N
XLogP3.69
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-oxohexan-2-yl)-2-[(E)-2-[4-[(dimethylamino)methyl]phenyl]ethenyl]benzamide?
The IUPAC name of N-(1-amino-1-oxohexan-2-yl)-2-[(E)-2-[4-[(dimethylamino)methyl]phenyl]ethenyl]benzamide (CID 10069167) is N-(1-amino-1-oxohexan-2-yl)-2-[(E)-2-[4-[(dimethylamino)methyl]phenyl]ethenyl]benzamide.
What is the SMILES notation for N-(1-amino-1-oxohexan-2-yl)-2-[(E)-2-[4-[(dimethylamino)methyl]phenyl]ethenyl]benzamide?
The canonical SMILES for N-(1-amino-1-oxohexan-2-yl)-2-[(E)-2-[4-[(dimethylamino)methyl]phenyl]ethenyl]benzamide is CCCCC(NC(=O)c1ccccc1/C=C/c1ccc(CN(C)C)cc1)C(N)=O.
What is the InChIKey of N-(1-amino-1-oxohexan-2-yl)-2-[(E)-2-[4-[(dimethylamino)methyl]phenyl]ethenyl]benzamide?
The InChIKey is PVEWYPRSIGWUAA-FOCLMDBBSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-4-5-10-22(23(25)28)26-24(29)21-9-7-6-8-20(21)16-15-18-11-13-19(14-12-18)17-27(2)3/h6-9,11-16,22H,4-5,10,17H2,1-3H3,(H2,25,28)(H,26,29)/b16-15+.
What are the key properties of N-(1-amino-1-oxohexan-2-yl)-2-[(E)-2-[4-[(dimethylamino)methyl]phenyl]ethenyl]benzamide?
N-(1-amino-1-oxohexan-2-yl)-2-[(E)-2-[4-[(dimethylamino)methyl]phenyl]ethenyl]benzamide has a molecular weight of 393.53 g/mol, XLogP of 3.69, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-oxohexan-2-yl)-2-[(E)-2-[4-[(dimethylamino)methyl]phenyl]ethenyl]benzamide is sourced from PubChem (CID 10069167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).