N-(3-acetylphenyl)-4-ethenylimino-N-(naphthalen-2-ylmethyl)-3-oxopentanamide

C26H24N2O3 — CID 142214435

IUPACN-(3-acetylphenyl)-4-ethenylimino-N-(naphthalen-2-ylmethyl)-3-oxopentanamide
SMILESC=C/N=C(\C)C(=O)CC(=O)N(Cc1ccc2ccccc2c1)c1cccc(C(C)=O)c1
InChIInChI=1S/C26H24N2O3/c1-4-27-18(2)25(30)16-26(31)28(24-11-7-10-22(15-24)19(3)29)17-20-12-13-21-8-5-6-9-23(21)14-20/h4-15H,1,16-17H2,2-3H3/b27-18+
InChIKeyNQDAQYPSXFXZFX-OVVQPSECSA-N
MW412.49 g/mol
LogP5.14
Rot. Bonds8

About N-(3-acetylphenyl)-4-ethenylimino-N-(naphthalen-2-ylmethyl)-3-oxopentanamide

N-(3-acetylphenyl)-4-ethenylimino-N-(naphthalen-2-ylmethyl)-3-oxopentanamide (PubChem CID 142214435) has the molecular formula C26H24N2O3 and a molecular weight of 412.49 g/mol. Its IUPAC name is N-(3-acetylphenyl)-4-ethenylimino-N-(naphthalen-2-ylmethyl)-3-oxopentanamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-4-ethenylimino-N-(naphthalen-2-ylmethyl)-3-oxopentanamide
PubChem CID142214435
Molecular FormulaC26H24N2O3
Molecular Weight412.49 g/mol
Exact Mass412.18
IUPAC NameN-(3-acetylphenyl)-4-ethenylimino-N-(naphthalen-2-ylmethyl)-3-oxopentanamide
SMILESC=C/N=C(\C)C(=O)CC(=O)N(Cc1ccc2ccccc2c1)c1cccc(C(C)=O)c1
InChIInChI=1S/C26H24N2O3/c1-4-27-18(2)25(30)16-26(31)28(24-11-7-10-22(15-24)19(3)29)17-20-12-13-21-8-5-6-9-23(21)14-20/h4-15H,1,16-17H2,2-3H3/b27-18+
InChIKeyNQDAQYPSXFXZFX-OVVQPSECSA-N
XLogP5.14
TPSA66.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.49
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-[(3-carboxy-3-oxopropanoyl)-(naphthalen-2-ylmethyl)amino]benzoic acid
CID 504949
N,N-diethyl-3-[naphthalen-2-ylmethyl-(3-oxo-3-pyrimidin-2-ylpropanoyl)amino]benzamide
CID 505010
4-[4-chloro-N-(naphthalen-2-ylmethyl)anilino]-2,4-dioxobutanoic acid
CID 90687865
N-(3-hydroxypropyl)-N-methyl-3-[naphthalen-2-ylmethyl-(3-oxo-3-pyrimidin-2-ylpropanoyl)amino]benzamide
CID 505092
3-[[3-(4-methoxypyrimidin-2-yl)-3-oxopropanoyl]-(naphthalen-2-ylmethyl)amino]-N,N-dimethylbenzamide
CID 505119
N-(3-acetylphenyl)-2-naphthalen-2-ylacetamide
CID 9165110
N-methyl-N-(naphthalen-2-ylmethyl)prop-2-enamide
CID 54874632
3-ethyl-1-methyl-1-(naphthalen-2-ylmethyl)urea
CID 34711127
tert-butyl 4-[4-chloro-N-(naphthalen-2-ylmethyl)-3-nitroanilino]-2,4-dioxobutanoate
CID 505575
N-[3-(dimethylsulfamoyl)phenyl]-3-(5-ethylpyrimidin-2-yl)-N-(naphthalen-2-ylmethyl)-3-oxopropanamide
CID 505036
N-[3-(dimethylsulfamoyl)phenyl]-3-(4-methylpyrimidin-2-yl)-N-(naphthalen-2-ylmethyl)-3-oxopropanamide
CID 505038
5-[[3-(4-methoxypyrimidin-2-yl)-3-oxopropanoyl]-(naphthalen-2-ylmethyl)amino]-1-N,1-N,3-N,3-N-tetramethylbenzene-1,3-dicarboxamide
CID 505118

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-4-ethenylimino-N-(naphthalen-2-ylmethyl)-3-oxopentanamide?
The IUPAC name of N-(3-acetylphenyl)-4-ethenylimino-N-(naphthalen-2-ylmethyl)-3-oxopentanamide (CID 142214435) is N-(3-acetylphenyl)-4-ethenylimino-N-(naphthalen-2-ylmethyl)-3-oxopentanamide.
What is the SMILES notation for N-(3-acetylphenyl)-4-ethenylimino-N-(naphthalen-2-ylmethyl)-3-oxopentanamide?
The canonical SMILES for N-(3-acetylphenyl)-4-ethenylimino-N-(naphthalen-2-ylmethyl)-3-oxopentanamide is C=C/N=C(\C)C(=O)CC(=O)N(Cc1ccc2ccccc2c1)c1cccc(C(C)=O)c1.
What is the InChIKey of N-(3-acetylphenyl)-4-ethenylimino-N-(naphthalen-2-ylmethyl)-3-oxopentanamide?
The InChIKey is NQDAQYPSXFXZFX-OVVQPSECSA-N. The full InChI is InChI=1S/C26H24N2O3/c1-4-27-18(2)25(30)16-26(31)28(24-11-7-10-22(15-24)19(3)29)17-20-12-13-21-8-5-6-9-23(21)14-20/h4-15H,1,16-17H2,2-3H3/b27-18+.
What are the key properties of N-(3-acetylphenyl)-4-ethenylimino-N-(naphthalen-2-ylmethyl)-3-oxopentanamide?
N-(3-acetylphenyl)-4-ethenylimino-N-(naphthalen-2-ylmethyl)-3-oxopentanamide has a molecular weight of 412.49 g/mol, XLogP of 5.14, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-4-ethenylimino-N-(naphthalen-2-ylmethyl)-3-oxopentanamide is sourced from PubChem (CID 142214435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).