(E)-N-butyl-N-naphthalen-1-yl-3-phenylprop-2-enamide

C23H23NO — CID 102223656

IUPAC(E)-N-butyl-N-naphthalen-1-yl-3-phenylprop-2-enamide
SMILESCCCCN(C(=O)/C=C/c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C23H23NO/c1-2-3-18-24(23(25)17-16-19-10-5-4-6-11-19)22-15-9-13-20-12-7-8-14-21(20)22/h4-17H,2-3,18H2,1H3/b17-16+
InChIKeyIQTABNCLXFRSQT-WUKNDPDISA-N
MW329.44 g/mol
LogP5.69
Rot. Bonds6

About (E)-N-butyl-N-naphthalen-1-yl-3-phenylprop-2-enamide

(E)-N-butyl-N-naphthalen-1-yl-3-phenylprop-2-enamide (PubChem CID 102223656) has the molecular formula C23H23NO and a molecular weight of 329.44 g/mol. Its IUPAC name is (E)-N-butyl-N-naphthalen-1-yl-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-butyl-N-naphthalen-1-yl-3-phenylprop-2-enamide
PubChem CID102223656
Molecular FormulaC23H23NO
Molecular Weight329.44 g/mol
Exact Mass329.18
IUPAC Name(E)-N-butyl-N-naphthalen-1-yl-3-phenylprop-2-enamide
SMILESCCCCN(C(=O)/C=C/c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C23H23NO/c1-2-3-18-24(23(25)17-16-19-10-5-4-6-11-19)22-15-9-13-20-12-7-8-14-21(20)22/h4-17H,2-3,18H2,1H3/b17-16+
InChIKeyIQTABNCLXFRSQT-WUKNDPDISA-N
XLogP5.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.44
LogP ≤ 55.69
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

2-[pentyl(3-phenylprop-2-enoyl)amino]benzoic acid
CID 67409211
N-butyl-N-(2,5-dihydroxy-1-propylpyrrol-3-yl)-3-phenylprop-2-enamide
CID 91140325
N-ethyl-N-(2-iodophenyl)-3-phenylprop-2-enamide
CID 165178394
(E)-N-butyl-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl]-3-phenylprop-2-enamide
CID 50938190
2-methyl-N-naphthalen-1-yl-N-tetradecylprop-2-enamide
CID 175049026
(E)-3-(4-methylphenyl)-N-phenyl-N-propylprop-2-enamide
CID 126607669
(E)-N-butyl-3-(2-chlorophenyl)-N-phenylprop-2-enamide
CID 17256732
(E)-N-butyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-phenylprop-2-enamide
CID 42711527
naphthalen-1-yl 3-phenylprop-2-enoate
CID 788595
(Z)-1-phenyltetradec-1-en-3-one
CID 98536945
N,N-bis(3-hydroxypropyl)-3-phenylprop-2-enamide
CID 176654258
N-butyl-N-phenylprop-2-enamide
CID 43619884

Frequently Asked Questions

What is the IUPAC name of (E)-N-butyl-N-naphthalen-1-yl-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-butyl-N-naphthalen-1-yl-3-phenylprop-2-enamide (CID 102223656) is (E)-N-butyl-N-naphthalen-1-yl-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-butyl-N-naphthalen-1-yl-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-butyl-N-naphthalen-1-yl-3-phenylprop-2-enamide is CCCCN(C(=O)/C=C/c1ccccc1)c1cccc2ccccc12.
What is the InChIKey of (E)-N-butyl-N-naphthalen-1-yl-3-phenylprop-2-enamide?
The InChIKey is IQTABNCLXFRSQT-WUKNDPDISA-N. The full InChI is InChI=1S/C23H23NO/c1-2-3-18-24(23(25)17-16-19-10-5-4-6-11-19)22-15-9-13-20-12-7-8-14-21(20)22/h4-17H,2-3,18H2,1H3/b17-16+.
What are the key properties of (E)-N-butyl-N-naphthalen-1-yl-3-phenylprop-2-enamide?
(E)-N-butyl-N-naphthalen-1-yl-3-phenylprop-2-enamide has a molecular weight of 329.44 g/mol, XLogP of 5.69, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-butyl-N-naphthalen-1-yl-3-phenylprop-2-enamide is sourced from PubChem (CID 102223656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).