N-naphthalen-1-yl-3-(2-propoxyphenyl)prop-2-enamide

C22H21NO2 — CID 4089044

IUPACN-naphthalen-1-yl-3-(2-propoxyphenyl)prop-2-enamide
SMILESCCCOc1ccccc1C=CC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C22H21NO2/c1-2-16-25-21-13-6-4-9-18(21)14-15-22(24)23-20-12-7-10-17-8-3-5-11-19(17)20/h3-15H,2,16H2,1H3,(H,23,24)
InChIKeyKNPNVJOLHGSFDV-UHFFFAOYSA-N
MW331.42 g/mol
LogP5.28
Rot. Bonds6

About N-naphthalen-1-yl-3-(2-propoxyphenyl)prop-2-enamide

N-naphthalen-1-yl-3-(2-propoxyphenyl)prop-2-enamide (PubChem CID 4089044) has the molecular formula C22H21NO2 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-naphthalen-1-yl-3-(2-propoxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-naphthalen-1-yl-3-(2-propoxyphenyl)prop-2-enamide
PubChem CID4089044
Molecular FormulaC22H21NO2
Molecular Weight331.42 g/mol
Exact Mass331.16
IUPAC NameN-naphthalen-1-yl-3-(2-propoxyphenyl)prop-2-enamide
SMILESCCCOc1ccccc1C=CC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C22H21NO2/c1-2-16-25-21-13-6-4-9-18(21)14-15-22(24)23-20-12-7-10-17-8-3-5-11-19(17)20/h3-15H,2,16H2,1H3,(H,23,24)
InChIKeyKNPNVJOLHGSFDV-UHFFFAOYSA-N
XLogP5.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.42
LogP ≤ 55.28
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

N-(2-butoxyphenyl)-3-(2-propoxyphenyl)prop-2-enamide
CID 4081938
1-naphthalen-1-yl-3-(2-propoxyphenyl)urea
CID 2067216
3-naphthalen-1-yl-N-[2-(3-naphthalen-1-ylprop-2-enoylamino)phenyl]prop-2-enamide
CID 4233655
N-(3-fluorophenyl)-3-(2-propoxyphenyl)prop-2-enamide
CID 4278423
N-(3,5-dichlorophenyl)-3-(2-propoxyphenyl)prop-2-enamide
CID 4278421
(E)-3-(2-ethoxyphenyl)-N-methyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]prop-2-enamide
CID 9207458
(E)-3-(4-ethoxyphenyl)-N-naphthalen-1-ylprop-2-enamide
CID 804776
propyl 4-[3-(2-propoxyphenyl)prop-2-enoylamino]benzoate
CID 4278286
4-[[(E)-3-(2-propoxyphenyl)prop-2-enoyl]amino]butanoic acid
CID 53264049
3-(2-ethoxyphenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide
CID 3562949
(E)-3-(2-propoxyphenyl)prop-2-enamide
CID 82040605
(E)-N-(4-nitrophenyl)-3-(2-propoxyphenyl)prop-2-enamide
CID 19204245

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-3-(2-propoxyphenyl)prop-2-enamide?
The IUPAC name of N-naphthalen-1-yl-3-(2-propoxyphenyl)prop-2-enamide (CID 4089044) is N-naphthalen-1-yl-3-(2-propoxyphenyl)prop-2-enamide.
What is the SMILES notation for N-naphthalen-1-yl-3-(2-propoxyphenyl)prop-2-enamide?
The canonical SMILES for N-naphthalen-1-yl-3-(2-propoxyphenyl)prop-2-enamide is CCCOc1ccccc1C=CC(=O)Nc1cccc2ccccc12.
What is the InChIKey of N-naphthalen-1-yl-3-(2-propoxyphenyl)prop-2-enamide?
The InChIKey is KNPNVJOLHGSFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO2/c1-2-16-25-21-13-6-4-9-18(21)14-15-22(24)23-20-12-7-10-17-8-3-5-11-19(17)20/h3-15H,2,16H2,1H3,(H,23,24).
What are the key properties of N-naphthalen-1-yl-3-(2-propoxyphenyl)prop-2-enamide?
N-naphthalen-1-yl-3-(2-propoxyphenyl)prop-2-enamide has a molecular weight of 331.42 g/mol, XLogP of 5.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-3-(2-propoxyphenyl)prop-2-enamide is sourced from PubChem (CID 4089044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).