N-(2-naphthalen-2-yloxyethyl)-3-(oxan-4-yl)prop-2-enamide

C20H23NO3 — CID 127264719

IUPACN-(2-naphthalen-2-yloxyethyl)-3-(oxan-4-yl)prop-2-enamide
SMILESO=C(C=CC1CCOCC1)NCCOc1ccc2ccccc2c1
InChIInChI=1S/C20H23NO3/c22-20(8-5-16-9-12-23-13-10-16)21-11-14-24-19-7-6-17-3-1-2-4-18(17)15-19/h1-8,15-16H,9-14H2,(H,21,22)
InChIKeyYINDURDSHILFOA-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.32
Rot. Bonds6

About N-(2-naphthalen-2-yloxyethyl)-3-(oxan-4-yl)prop-2-enamide

N-(2-naphthalen-2-yloxyethyl)-3-(oxan-4-yl)prop-2-enamide (PubChem CID 127264719) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-(2-naphthalen-2-yloxyethyl)-3-(oxan-4-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-naphthalen-2-yloxyethyl)-3-(oxan-4-yl)prop-2-enamide
PubChem CID127264719
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC NameN-(2-naphthalen-2-yloxyethyl)-3-(oxan-4-yl)prop-2-enamide
SMILESO=C(C=CC1CCOCC1)NCCOc1ccc2ccccc2c1
InChIInChI=1S/C20H23NO3/c22-20(8-5-16-9-12-23-13-10-16)21-11-14-24-19-7-6-17-3-1-2-4-18(17)15-19/h1-8,15-16H,9-14H2,(H,21,22)
InChIKeyYINDURDSHILFOA-UHFFFAOYSA-N
XLogP3.32
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-naphthalen-2-yloxyethyl)-3-propylurea
CID 95904010
1-amino-N-(2-naphthalen-2-yloxyethyl)cyclopentane-1-carboxamide
CID 119274156
(2R,3S)-2-methyl-N-(2-naphthalen-2-yloxyethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 26037093
1-amino-N-(2-naphthalen-2-yloxyethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119274155
3-amino-N-(2-naphthalen-2-yloxyethyl)butanamide
CID 119694969
3-amino-N-(2-naphthalen-2-yloxyethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 119694948
1-(2-morpholin-4-yl-1-phenylethyl)-3-(2-naphthalen-2-yloxyethyl)urea
CID 112817994
N-[2-(6-bromonaphthalen-2-yl)oxyethyl]oxan-4-amine
CID 63100210
N-[(4-methoxyoxan-4-yl)methyl]-3-naphthalen-2-yloxypropanamide
CID 166225273
N-[2-(3-propan-2-ylphenoxy)ethyl]oxane-4-carboxamide
CID 113100261
2-[methyl-[2-(2-naphthalen-2-yloxyethylamino)-2-oxoethyl]amino]acetamide
CID 56818402
N-(3-ethoxypropyl)-2-naphthalen-2-yloxyacetamide
CID 35292228

Frequently Asked Questions

What is the IUPAC name of N-(2-naphthalen-2-yloxyethyl)-3-(oxan-4-yl)prop-2-enamide?
The IUPAC name of N-(2-naphthalen-2-yloxyethyl)-3-(oxan-4-yl)prop-2-enamide (CID 127264719) is N-(2-naphthalen-2-yloxyethyl)-3-(oxan-4-yl)prop-2-enamide.
What is the SMILES notation for N-(2-naphthalen-2-yloxyethyl)-3-(oxan-4-yl)prop-2-enamide?
The canonical SMILES for N-(2-naphthalen-2-yloxyethyl)-3-(oxan-4-yl)prop-2-enamide is O=C(C=CC1CCOCC1)NCCOc1ccc2ccccc2c1.
What is the InChIKey of N-(2-naphthalen-2-yloxyethyl)-3-(oxan-4-yl)prop-2-enamide?
The InChIKey is YINDURDSHILFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c22-20(8-5-16-9-12-23-13-10-16)21-11-14-24-19-7-6-17-3-1-2-4-18(17)15-19/h1-8,15-16H,9-14H2,(H,21,22).
What are the key properties of N-(2-naphthalen-2-yloxyethyl)-3-(oxan-4-yl)prop-2-enamide?
N-(2-naphthalen-2-yloxyethyl)-3-(oxan-4-yl)prop-2-enamide has a molecular weight of 325.41 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-naphthalen-2-yloxyethyl)-3-(oxan-4-yl)prop-2-enamide is sourced from PubChem (CID 127264719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).