N-(7-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl)-2-naphthalen-1-ylacetamide

C25H25NO2 — CID 143828436

IUPACN-(7-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl)-2-naphthalen-1-ylacetamide
SMILESCc1ccc2c(c1)OC1(CCC1)CC2NC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C25H25NO2/c1-17-10-11-21-22(16-25(12-5-13-25)28-23(21)14-17)26-24(27)15-19-8-4-7-18-6-2-3-9-20(18)19/h2-4,6-11,14,22H,5,12-13,15-16H2,1H3,(H,26,27)
InChIKeySWPLGKVJWATVPE-UHFFFAOYSA-N
MW371.48 g/mol
LogP5.25
Rot. Bonds3

About N-(7-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl)-2-naphthalen-1-ylacetamide

N-(7-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl)-2-naphthalen-1-ylacetamide (PubChem CID 143828436) has the molecular formula C25H25NO2 and a molecular weight of 371.48 g/mol. Its IUPAC name is N-(7-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl)-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-(7-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl)-2-naphthalen-1-ylacetamide
PubChem CID143828436
Molecular FormulaC25H25NO2
Molecular Weight371.48 g/mol
Exact Mass371.19
IUPAC NameN-(7-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl)-2-naphthalen-1-ylacetamide
SMILESCc1ccc2c(c1)OC1(CCC1)CC2NC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C25H25NO2/c1-17-10-11-21-22(16-25(12-5-13-25)28-23(21)14-17)26-24(27)15-19-8-4-7-18-6-2-3-9-20(18)19/h2-4,6-11,14,22H,5,12-13,15-16H2,1H3,(H,26,27)
InChIKeySWPLGKVJWATVPE-UHFFFAOYSA-N
XLogP5.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.48
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluorophenyl)-N-[(4R)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]acetamide
CID 100637040
ethyl 4-[(7-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl)carbamoylamino]indazole-1-carboxylate
CID 25070037
2-(2-fluorophenyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylacetamide
CID 133166982
(4S)-6,7-dimethoxy-N-(naphthalen-1-ylmethyl)spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 70594660
2-hydroxy-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylacetamide
CID 86285388
7-methyl-N-(2-methylpropyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 82462867
2-(4-ethylphenyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylacetamide
CID 133224868
2-(4-chlorophenyl)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 132652521
2-(3-bromophenyl)-N-[(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]acetamide
CID 100701250
N-(3,3-dimethylcyclopentyl)-2-naphthalen-1-ylacetamide
CID 115880924
3-amino-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylpropanamide;hydrochloride
CID 119341948
2-(2-fluorophenyl)-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]acetamide
CID 100636989

Frequently Asked Questions

What is the IUPAC name of N-(7-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl)-2-naphthalen-1-ylacetamide?
The IUPAC name of N-(7-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl)-2-naphthalen-1-ylacetamide (CID 143828436) is N-(7-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl)-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-(7-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl)-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-(7-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl)-2-naphthalen-1-ylacetamide is Cc1ccc2c(c1)OC1(CCC1)CC2NC(=O)Cc1cccc2ccccc12.
What is the InChIKey of N-(7-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl)-2-naphthalen-1-ylacetamide?
The InChIKey is SWPLGKVJWATVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO2/c1-17-10-11-21-22(16-25(12-5-13-25)28-23(21)14-17)26-24(27)15-19-8-4-7-18-6-2-3-9-20(18)19/h2-4,6-11,14,22H,5,12-13,15-16H2,1H3,(H,26,27).
What are the key properties of N-(7-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl)-2-naphthalen-1-ylacetamide?
N-(7-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl)-2-naphthalen-1-ylacetamide has a molecular weight of 371.48 g/mol, XLogP of 5.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl)-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 143828436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).