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

C22H17NO — CID 24669101

IUPAC(E)-3-naphthalen-1-yl-N-(3-phenylprop-2-ynyl)prop-2-enamide
SMILESO=C(/C=C/c1cccc2ccccc12)NCC#Cc1ccccc1
InChIInChI=1S/C22H17NO/c24-22(23-17-7-10-18-8-2-1-3-9-18)16-15-20-13-6-12-19-11-4-5-14-21(19)20/h1-6,8-9,11-16H,17H2,(H,23,24)/b16-15+
InChIKeyUUARKFKLYMPFQN-FOCLMDBBSA-N
MW311.38 g/mol
LogP4.02
Rot. Bonds3

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

(E)-3-naphthalen-1-yl-N-(3-phenylprop-2-ynyl)prop-2-enamide (PubChem CID 24669101) has the molecular formula C22H17NO and a molecular weight of 311.38 g/mol. Its IUPAC name is (E)-3-naphthalen-1-yl-N-(3-phenylprop-2-ynyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-naphthalen-1-yl-N-(3-phenylprop-2-ynyl)prop-2-enamide
PubChem CID24669101
Molecular FormulaC22H17NO
Molecular Weight311.38 g/mol
Exact Mass311.13
IUPAC Name(E)-3-naphthalen-1-yl-N-(3-phenylprop-2-ynyl)prop-2-enamide
SMILESO=C(/C=C/c1cccc2ccccc12)NCC#Cc1ccccc1
InChIInChI=1S/C22H17NO/c24-22(23-17-7-10-18-8-2-1-3-9-18)16-15-20-13-6-12-19-11-4-5-14-21(19)20/h1-6,8-9,11-16H,17H2,(H,23,24)/b16-15+
InChIKeyUUARKFKLYMPFQN-FOCLMDBBSA-N
XLogP4.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-naphthalen-1-yl-N-prop-2-enylprop-2-enamide
CID 6233082
(E)-3-(2-methylphenyl)-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]prop-2-enamide
CID 24676762
3-naphthalen-1-yl-N-[2-(3-naphthalen-1-ylprop-2-enoylamino)phenyl]prop-2-enamide
CID 4233655
N-(3-cyanophenyl)-3-naphthalen-1-ylprop-2-enamide
CID 681397
2-naphthalen-1-yl-N-[2-oxo-2-(3-phenylprop-2-ynylamino)ethyl]acetamide
CID 51332688
methyl 6-(3-naphthalen-1-ylprop-2-enoylamino)hexanoate
CID 66958409
N'-[2-(4-methoxyphenoxy)acetyl]-3-naphthalen-1-ylprop-2-enehydrazide
CID 4146389
(E)-3-naphthalen-1-yl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]prop-2-enamide
CID 46604017
2,3-dimethyl-2-(3-naphthalen-1-ylprop-2-enoylamino)butanoic acid
CID 126802811
N-benzyl-4-[2-[(Z)-3-naphthalen-1-ylprop-2-enoyl]hydrazinyl]-4-oxobutanamide
CID 92962067
(E)-3-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-N-(3-phenylprop-2-ynyl)prop-2-enamide
CID 24669070
(E)-N-(4-hydroxyphenyl)-3-naphthalen-1-ylprop-2-enamide
CID 102534918

Frequently Asked Questions

What is the IUPAC name of (E)-3-naphthalen-1-yl-N-(3-phenylprop-2-ynyl)prop-2-enamide?
The IUPAC name of (E)-3-naphthalen-1-yl-N-(3-phenylprop-2-ynyl)prop-2-enamide (CID 24669101) is (E)-3-naphthalen-1-yl-N-(3-phenylprop-2-ynyl)prop-2-enamide.
What is the SMILES notation for (E)-3-naphthalen-1-yl-N-(3-phenylprop-2-ynyl)prop-2-enamide?
The canonical SMILES for (E)-3-naphthalen-1-yl-N-(3-phenylprop-2-ynyl)prop-2-enamide is O=C(/C=C/c1cccc2ccccc12)NCC#Cc1ccccc1.
What is the InChIKey of (E)-3-naphthalen-1-yl-N-(3-phenylprop-2-ynyl)prop-2-enamide?
The InChIKey is UUARKFKLYMPFQN-FOCLMDBBSA-N. The full InChI is InChI=1S/C22H17NO/c24-22(23-17-7-10-18-8-2-1-3-9-18)16-15-20-13-6-12-19-11-4-5-14-21(19)20/h1-6,8-9,11-16H,17H2,(H,23,24)/b16-15+.
What are the key properties of (E)-3-naphthalen-1-yl-N-(3-phenylprop-2-ynyl)prop-2-enamide?
(E)-3-naphthalen-1-yl-N-(3-phenylprop-2-ynyl)prop-2-enamide has a molecular weight of 311.38 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-naphthalen-1-yl-N-(3-phenylprop-2-ynyl)prop-2-enamide is sourced from PubChem (CID 24669101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).