2-methyl-N-naphthalen-1-yl-N-phenylprop-2-enamide

C20H17NO — CID 4563902

IUPAC2-methyl-N-naphthalen-1-yl-N-phenylprop-2-enamide
SMILESC=C(C)C(=O)N(c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C20H17NO/c1-15(2)20(22)21(17-11-4-3-5-12-17)19-14-8-10-16-9-6-7-13-18(16)19/h3-14H,1H2,2H3
InChIKeyBLVLNPMGKHGHJN-UHFFFAOYSA-N
MW287.36 g/mol
LogP5.08
Rot. Bonds3

About 2-methyl-N-naphthalen-1-yl-N-phenylprop-2-enamide

2-methyl-N-naphthalen-1-yl-N-phenylprop-2-enamide (PubChem CID 4563902) has the molecular formula C20H17NO and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-methyl-N-naphthalen-1-yl-N-phenylprop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-naphthalen-1-yl-N-phenylprop-2-enamide
PubChem CID4563902
Molecular FormulaC20H17NO
Molecular Weight287.36 g/mol
Exact Mass287.13
IUPAC Name2-methyl-N-naphthalen-1-yl-N-phenylprop-2-enamide
SMILESC=C(C)C(=O)N(c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C20H17NO/c1-15(2)20(22)21(17-11-4-3-5-12-17)19-14-8-10-16-9-6-7-13-18(16)19/h3-14H,1H2,2H3
InChIKeyBLVLNPMGKHGHJN-UHFFFAOYSA-N
XLogP5.08
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.36
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Acetamide, N-1-naphthalenyl-
CID 68461
N-(1-pyrenyl)maleimide
CID 626783
Benzamide, N-(1-naphthyl)-4-methyl-
CID 531834
N-1-Naphthylbenzamide
CID 69448
1-(naphthalen-2-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 243251
N-(1-Naphthyl)hexanamide
CID 532117
1-Naphthalenamine, N-[(1,1,3,3-tetramethylbutyl)phenyl]-
CID 40123
1-(naphthalen-1-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 237517
N-(naphthalen-1-yl)propanamide
CID 307009
N-(2-Naphthyl)hexanamide
CID 588524
Acetamide, N-ethyl-N-1-naphthalenyl-
CID 880894
3-methyl-N-(2-naphthyl)butanamide
CID 222943

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-naphthalen-1-yl-N-phenylprop-2-enamide?
The IUPAC name of 2-methyl-N-naphthalen-1-yl-N-phenylprop-2-enamide (CID 4563902) is 2-methyl-N-naphthalen-1-yl-N-phenylprop-2-enamide.
What is the SMILES notation for 2-methyl-N-naphthalen-1-yl-N-phenylprop-2-enamide?
The canonical SMILES for 2-methyl-N-naphthalen-1-yl-N-phenylprop-2-enamide is C=C(C)C(=O)N(c1ccccc1)c1cccc2ccccc12.
What is the InChIKey of 2-methyl-N-naphthalen-1-yl-N-phenylprop-2-enamide?
The InChIKey is BLVLNPMGKHGHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO/c1-15(2)20(22)21(17-11-4-3-5-12-17)19-14-8-10-16-9-6-7-13-18(16)19/h3-14H,1H2,2H3.
What are the key properties of 2-methyl-N-naphthalen-1-yl-N-phenylprop-2-enamide?
2-methyl-N-naphthalen-1-yl-N-phenylprop-2-enamide has a molecular weight of 287.36 g/mol, XLogP of 5.08, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-naphthalen-1-yl-N-phenylprop-2-enamide is sourced from PubChem (CID 4563902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).