(E)-N-[3-(methylcarbamoylamino)phenyl]-3-naphthalen-1-ylprop-2-enamide

C21H19N3O2 — CID 36824939

IUPAC(E)-N-[3-(methylcarbamoylamino)phenyl]-3-naphthalen-1-ylprop-2-enamide
SMILESCNC(=O)Nc1cccc(NC(=O)/C=C/c2cccc3ccccc23)c1
InChIInChI=1S/C21H19N3O2/c1-22-21(26)24-18-10-5-9-17(14-18)23-20(25)13-12-16-8-4-7-15-6-2-3-11-19(15)16/h2-14H,1H3,(H,23,25)(H2,22,24,26)/b13-12+
InChIKeyVDGJIRPDCLBZHW-OUKQBFOZSA-N
MW345.40 g/mol
LogP4.24
Rot. Bonds4

About (E)-N-[3-(methylcarbamoylamino)phenyl]-3-naphthalen-1-ylprop-2-enamide

(E)-N-[3-(methylcarbamoylamino)phenyl]-3-naphthalen-1-ylprop-2-enamide (PubChem CID 36824939) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is (E)-N-[3-(methylcarbamoylamino)phenyl]-3-naphthalen-1-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[3-(methylcarbamoylamino)phenyl]-3-naphthalen-1-ylprop-2-enamide
PubChem CID36824939
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Name(E)-N-[3-(methylcarbamoylamino)phenyl]-3-naphthalen-1-ylprop-2-enamide
SMILESCNC(=O)Nc1cccc(NC(=O)/C=C/c2cccc3ccccc23)c1
InChIInChI=1S/C21H19N3O2/c1-22-21(26)24-18-10-5-9-17(14-18)23-20(25)13-12-16-8-4-7-15-6-2-3-11-19(15)16/h2-14H,1H3,(H,23,25)(H2,22,24,26)/b13-12+
InChIKeyVDGJIRPDCLBZHW-OUKQBFOZSA-N
XLogP4.24
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-cyanophenyl)-3-naphthalen-1-ylprop-2-enamide
CID 681397
(E)-3-[2-(difluoromethoxy)phenyl]-N-[3-(methylcarbamoylamino)phenyl]prop-2-enamide
CID 36824573
(Z)-N-(3-chloro-4-methylphenyl)-3-naphthalen-1-ylprop-2-enamide
CID 92949912
(E)-N-(3-chloro-4-methylphenyl)-3-naphthalen-1-ylprop-2-enamide
CID 6239949
(E)-N-[3-(dimethylsulfamoyl)phenyl]-3-naphthalen-1-ylprop-2-enamide
CID 55485816
(E)-N-(4-hydroxyphenyl)-3-naphthalen-1-ylprop-2-enamide
CID 102534918
N-(4-methoxyphenyl)-3-naphthalen-1-ylprop-2-enamide
CID 680988
3-naphthalen-1-yl-N-[2-(3-naphthalen-1-ylprop-2-enoylamino)phenyl]prop-2-enamide
CID 4233655
3-naphthalen-1-yl-N-(2,4,6-trimethylphenyl)prop-2-enamide
CID 5178128
3-naphthalen-1-yl-N-(4-phenyldiazenylphenyl)prop-2-enamide
CID 5177921
(Z)-N-[4-(methylcarbamoylamino)phenyl]-3-quinolin-4-ylprop-2-enamide
CID 97359293
3-naphthalen-1-yl-N-[4-(phenylsulfamoyl)phenyl]prop-2-enamide
CID 5157349

Frequently Asked Questions

What is the IUPAC name of (E)-N-[3-(methylcarbamoylamino)phenyl]-3-naphthalen-1-ylprop-2-enamide?
The IUPAC name of (E)-N-[3-(methylcarbamoylamino)phenyl]-3-naphthalen-1-ylprop-2-enamide (CID 36824939) is (E)-N-[3-(methylcarbamoylamino)phenyl]-3-naphthalen-1-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[3-(methylcarbamoylamino)phenyl]-3-naphthalen-1-ylprop-2-enamide?
The canonical SMILES for (E)-N-[3-(methylcarbamoylamino)phenyl]-3-naphthalen-1-ylprop-2-enamide is CNC(=O)Nc1cccc(NC(=O)/C=C/c2cccc3ccccc23)c1.
What is the InChIKey of (E)-N-[3-(methylcarbamoylamino)phenyl]-3-naphthalen-1-ylprop-2-enamide?
The InChIKey is VDGJIRPDCLBZHW-OUKQBFOZSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-22-21(26)24-18-10-5-9-17(14-18)23-20(25)13-12-16-8-4-7-15-6-2-3-11-19(15)16/h2-14H,1H3,(H,23,25)(H2,22,24,26)/b13-12+.
What are the key properties of (E)-N-[3-(methylcarbamoylamino)phenyl]-3-naphthalen-1-ylprop-2-enamide?
(E)-N-[3-(methylcarbamoylamino)phenyl]-3-naphthalen-1-ylprop-2-enamide has a molecular weight of 345.40 g/mol, XLogP of 4.24, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[3-(methylcarbamoylamino)phenyl]-3-naphthalen-1-ylprop-2-enamide is sourced from PubChem (CID 36824939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).