N-(1-naphthalen-1-ylethyl)-3,4-dihydro-2H-chromene-2-carboxamide

C22H21NO2 — CID 123882977

IUPACN-(1-naphthalen-1-ylethyl)-3,4-dihydro-2H-chromene-2-carboxamide
SMILESCC(NC(=O)C1CCc2ccccc2O1)c1cccc2ccccc12
InChIInChI=1S/C22H21NO2/c1-15(18-11-6-9-16-7-2-4-10-19(16)18)23-22(24)21-14-13-17-8-3-5-12-20(17)25-21/h2-12,15,21H,13-14H2,1H3,(H,23,24)
InChIKeyPGAPHGAQEZDGOS-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.41
Rot. Bonds3

About N-(1-naphthalen-1-ylethyl)-3,4-dihydro-2H-chromene-2-carboxamide

N-(1-naphthalen-1-ylethyl)-3,4-dihydro-2H-chromene-2-carboxamide (PubChem CID 123882977) has the molecular formula C22H21NO2 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-(1-naphthalen-1-ylethyl)-3,4-dihydro-2H-chromene-2-carboxamide.

Molecular Properties

Compound NameN-(1-naphthalen-1-ylethyl)-3,4-dihydro-2H-chromene-2-carboxamide
PubChem CID123882977
Molecular FormulaC22H21NO2
Molecular Weight331.42 g/mol
Exact Mass331.16
IUPAC NameN-(1-naphthalen-1-ylethyl)-3,4-dihydro-2H-chromene-2-carboxamide
SMILESCC(NC(=O)C1CCc2ccccc2O1)c1cccc2ccccc12
InChIInChI=1S/C22H21NO2/c1-15(18-11-6-9-16-7-2-4-10-19(16)18)23-22(24)21-14-13-17-8-3-5-12-20(17)25-21/h2-12,15,21H,13-14H2,1H3,(H,23,24)
InChIKeyPGAPHGAQEZDGOS-UHFFFAOYSA-N
XLogP4.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-5-chloro-N-[(1R)-1-naphthalen-1-ylethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 26811005
N-(1-naphthalen-1-ylethyl)-4-phenyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 77467355
(1R)-N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-1-naphthalen-1-ylethanamine;hydrochloride
CID 164884131
N-(1-naphthalen-1-ylethyl)-3,4-dihydro-2H-1,4-benzoxazine-3-carboxamide
CID 77467348
N-[(1S)-1-naphthalen-1-ylethyl]morpholine-2-carboxamide
CID 146426620
N-[(2S)-1-propoxypropan-2-yl]-3,4-dihydro-2H-chromene-2-carboxamide
CID 130179921
4-(3-hydroxy-4-methylphenyl)-N-(1-naphthalen-1-ylethyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 77467321
trans-(2R,3R)-N-[(1S)-1-naphthalen-1-ylethyl]-2,3-diphenylcyclopropane-1-carboxamide
CID 11440730
N'-(1-naphthalen-1-ylethyl)-N-[(1S)-1-naphthalen-1-ylethyl]oxamide
CID 90809930
2,2-dichloro-N-(1-naphthalen-1-ylethyl)cyclopropane-1-carboxamide
CID 42907495
3-amino-N-(1-naphthalen-1-ylethyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119686987
3-methyl-N-(1-naphthalen-1-ylethyl)pyrrolidine-2-carboxamide
CID 102779169

Frequently Asked Questions

What is the IUPAC name of N-(1-naphthalen-1-ylethyl)-3,4-dihydro-2H-chromene-2-carboxamide?
The IUPAC name of N-(1-naphthalen-1-ylethyl)-3,4-dihydro-2H-chromene-2-carboxamide (CID 123882977) is N-(1-naphthalen-1-ylethyl)-3,4-dihydro-2H-chromene-2-carboxamide.
What is the SMILES notation for N-(1-naphthalen-1-ylethyl)-3,4-dihydro-2H-chromene-2-carboxamide?
The canonical SMILES for N-(1-naphthalen-1-ylethyl)-3,4-dihydro-2H-chromene-2-carboxamide is CC(NC(=O)C1CCc2ccccc2O1)c1cccc2ccccc12.
What is the InChIKey of N-(1-naphthalen-1-ylethyl)-3,4-dihydro-2H-chromene-2-carboxamide?
The InChIKey is PGAPHGAQEZDGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO2/c1-15(18-11-6-9-16-7-2-4-10-19(16)18)23-22(24)21-14-13-17-8-3-5-12-20(17)25-21/h2-12,15,21H,13-14H2,1H3,(H,23,24).
What are the key properties of N-(1-naphthalen-1-ylethyl)-3,4-dihydro-2H-chromene-2-carboxamide?
N-(1-naphthalen-1-ylethyl)-3,4-dihydro-2H-chromene-2-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-naphthalen-1-ylethyl)-3,4-dihydro-2H-chromene-2-carboxamide is sourced from PubChem (CID 123882977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).