N-[4-[(E)-3-naphthalen-1-ylprop-2-enoyl]phenyl]prop-2-enamide

C22H17NO2 — CID 101136088

IUPACN-[4-[(E)-3-naphthalen-1-ylprop-2-enoyl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(C(=O)/C=C/c2cccc3ccccc23)cc1
InChIInChI=1S/C22H17NO2/c1-2-22(25)23-19-13-10-18(11-14-19)21(24)15-12-17-8-5-7-16-6-3-4-9-20(16)17/h2-15H,1H2,(H,23,25)/b15-12+
InChIKeyLTEBTCKYWBDUHE-NTCAYCPXSA-N
MW327.38 g/mol
LogP4.86
Rot. Bonds5

About N-[4-[(E)-3-naphthalen-1-ylprop-2-enoyl]phenyl]prop-2-enamide

N-[4-[(E)-3-naphthalen-1-ylprop-2-enoyl]phenyl]prop-2-enamide (PubChem CID 101136088) has the molecular formula C22H17NO2 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-[4-[(E)-3-naphthalen-1-ylprop-2-enoyl]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-[(E)-3-naphthalen-1-ylprop-2-enoyl]phenyl]prop-2-enamide
PubChem CID101136088
Molecular FormulaC22H17NO2
Molecular Weight327.38 g/mol
Exact Mass327.13
IUPAC NameN-[4-[(E)-3-naphthalen-1-ylprop-2-enoyl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(C(=O)/C=C/c2cccc3ccccc23)cc1
InChIInChI=1S/C22H17NO2/c1-2-22(25)23-19-13-10-18(11-14-19)21(24)15-12-17-8-5-7-16-6-3-4-9-20(16)17/h2-15H,1H2,(H,23,25)/b15-12+
InChIKeyLTEBTCKYWBDUHE-NTCAYCPXSA-N
XLogP4.86
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-(4-hydroxyphenyl)-3-naphthalen-1-ylprop-2-en-1-one
CID 7946173
(E)-N-(4-hydroxyphenyl)-3-naphthalen-1-ylprop-2-enamide
CID 102534918
(E)-1-(4-iodophenyl)-3-naphthalen-1-ylprop-2-en-1-one
CID 6045199
N-[4-[(E)-3-naphthalen-1-ylprop-2-enoyl]phenyl]ethanesulfonamide
CID 56528892
N-[4-[3-(2,6-difluorophenyl)prop-2-enoyl]phenyl]prop-2-enamide
CID 175356553
N-(4-methoxyphenyl)-3-naphthalen-1-ylprop-2-enamide
CID 680988
(E)-3-naphthalen-1-yl-1-naphthalen-2-ylprop-2-en-1-one
CID 6143927
N-[4-[(E)-3-[2-[4-(trifluoromethyl)phenyl]phenyl]prop-2-enoyl]phenyl]prop-2-enamide
CID 175132490
3-naphthalen-1-yl-N-(4-phenyldiazenylphenyl)prop-2-enamide
CID 5177921
(1E)-1-naphthalen-1-ylpenta-1,4-dien-3-one
CID 21417039
(E)-3-naphthalen-1-yl-N-prop-2-enylprop-2-enamide
CID 6233082
3-naphthalen-1-yl-N-[4-(prop-2-enylsulfamoyl)phenyl]prop-2-enamide
CID 4929850

Frequently Asked Questions

What is the IUPAC name of N-[4-[(E)-3-naphthalen-1-ylprop-2-enoyl]phenyl]prop-2-enamide?
The IUPAC name of N-[4-[(E)-3-naphthalen-1-ylprop-2-enoyl]phenyl]prop-2-enamide (CID 101136088) is N-[4-[(E)-3-naphthalen-1-ylprop-2-enoyl]phenyl]prop-2-enamide.
What is the SMILES notation for N-[4-[(E)-3-naphthalen-1-ylprop-2-enoyl]phenyl]prop-2-enamide?
The canonical SMILES for N-[4-[(E)-3-naphthalen-1-ylprop-2-enoyl]phenyl]prop-2-enamide is C=CC(=O)Nc1ccc(C(=O)/C=C/c2cccc3ccccc23)cc1.
What is the InChIKey of N-[4-[(E)-3-naphthalen-1-ylprop-2-enoyl]phenyl]prop-2-enamide?
The InChIKey is LTEBTCKYWBDUHE-NTCAYCPXSA-N. The full InChI is InChI=1S/C22H17NO2/c1-2-22(25)23-19-13-10-18(11-14-19)21(24)15-12-17-8-5-7-16-6-3-4-9-20(16)17/h2-15H,1H2,(H,23,25)/b15-12+.
What are the key properties of N-[4-[(E)-3-naphthalen-1-ylprop-2-enoyl]phenyl]prop-2-enamide?
N-[4-[(E)-3-naphthalen-1-ylprop-2-enoyl]phenyl]prop-2-enamide has a molecular weight of 327.38 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(E)-3-naphthalen-1-ylprop-2-enoyl]phenyl]prop-2-enamide is sourced from PubChem (CID 101136088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).