N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-naphthalen-2-ylacetamide

C22H21NO2 — CID 51212134

IUPACN-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-naphthalen-2-ylacetamide
SMILESO=C(Cc1ccc2ccccc2c1)NCC1COc2ccccc2C1
InChIInChI=1S/C22H21NO2/c24-22(13-16-9-10-18-5-1-2-6-19(18)11-16)23-14-17-12-20-7-3-4-8-21(20)25-15-17/h1-11,17H,12-15H2,(H,23,24)
InChIKeyZDNIJZCUAAPJII-UHFFFAOYSA-N
MW331.42 g/mol
LogP3.75
Rot. Bonds4

About N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-naphthalen-2-ylacetamide

N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-naphthalen-2-ylacetamide (PubChem CID 51212134) has the molecular formula C22H21NO2 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-naphthalen-2-ylacetamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-naphthalen-2-ylacetamide
PubChem CID51212134
Molecular FormulaC22H21NO2
Molecular Weight331.42 g/mol
Exact Mass331.16
IUPAC NameN-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-naphthalen-2-ylacetamide
SMILESO=C(Cc1ccc2ccccc2c1)NCC1COc2ccccc2C1
InChIInChI=1S/C22H21NO2/c24-22(13-16-9-10-18-5-1-2-6-19(18)11-16)23-14-17-12-20-7-3-4-8-21(20)25-15-17/h1-11,17H,12-15H2,(H,23,24)
InChIKeyZDNIJZCUAAPJII-UHFFFAOYSA-N
XLogP3.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 94142976
N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-2-[4-(5-methyltetrazol-1-yl)phenyl]acetamide
CID 97269669
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-ethylsulfanylpropanamide
CID 72920738
1-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-ethylurea
CID 47117479
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-methylbenzamide
CID 51211932
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]pyridine-2-carboxamide
CID 99779688
tert-butyl 3-[[(2-naphthalen-2-ylacetyl)amino]methyl]azetidine-1-carboxylate
CID 167461978
2-(4-cyanophenyl)sulfanyl-N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]acetamide
CID 95160669
3,4-dihydro-2H-chromen-3-ylmethylhydrazine
CID 63589103
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(trifluoromethyl)benzamide
CID 40918040
(2E,4E)-N-(3,4-dihydro-2H-chromen-3-ylmethyl)hexa-2,4-dienamide
CID 47143635
4-bromo-N-(3,4-dihydro-2H-chromen-3-ylmethyl)-1H-pyrrole-2-carboxamide
CID 47116194

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-naphthalen-2-ylacetamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-naphthalen-2-ylacetamide (CID 51212134) is N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-naphthalen-2-ylacetamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-naphthalen-2-ylacetamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-naphthalen-2-ylacetamide is O=C(Cc1ccc2ccccc2c1)NCC1COc2ccccc2C1.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-naphthalen-2-ylacetamide?
The InChIKey is ZDNIJZCUAAPJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO2/c24-22(13-16-9-10-18-5-1-2-6-19(18)11-16)23-14-17-12-20-7-3-4-8-21(20)25-15-17/h1-11,17H,12-15H2,(H,23,24).
What are the key properties of N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-naphthalen-2-ylacetamide?
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-naphthalen-2-ylacetamide has a molecular weight of 331.42 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-naphthalen-2-ylacetamide is sourced from PubChem (CID 51212134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).