N-(6-chlorospiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl)-3-(2-cyclopentyloxy-3-methylphenyl)propanamide

C27H32ClNO3 — CID 74930646

IUPACN-(6-chlorospiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl)-3-(2-cyclopentyloxy-3-methylphenyl)propanamide
SMILESCc1cccc(CCC(=O)NC2CC3(CCC3)Oc3ccc(Cl)cc32)c1OC1CCCC1
InChIInChI=1S/C27H32ClNO3/c1-18-6-4-7-19(26(18)31-21-8-2-3-9-21)10-13-25(30)29-23-17-27(14-5-15-27)32-24-12-11-20(28)16-22(23)24/h4,6-7,11-12,16,21,23H,2-3,5,8-10,13-15,17H2,1H3,(H,29,30)
InChIKeyXYBZKQHMGIIFAF-UHFFFAOYSA-N
MW454.01 g/mol
LogP6.47
Rot. Bonds6

About N-(6-chlorospiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl)-3-(2-cyclopentyloxy-3-methylphenyl)propanamide

N-(6-chlorospiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl)-3-(2-cyclopentyloxy-3-methylphenyl)propanamide (PubChem CID 74930646) has the molecular formula C27H32ClNO3 and a molecular weight of 454.01 g/mol. Its IUPAC name is N-(6-chlorospiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl)-3-(2-cyclopentyloxy-3-methylphenyl)propanamide.

Molecular Properties

Compound NameN-(6-chlorospiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl)-3-(2-cyclopentyloxy-3-methylphenyl)propanamide
PubChem CID74930646
Molecular FormulaC27H32ClNO3
Molecular Weight454.01 g/mol
Exact Mass453.21
IUPAC NameN-(6-chlorospiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl)-3-(2-cyclopentyloxy-3-methylphenyl)propanamide
SMILESCc1cccc(CCC(=O)NC2CC3(CCC3)Oc3ccc(Cl)cc32)c1OC1CCCC1
InChIInChI=1S/C27H32ClNO3/c1-18-6-4-7-19(26(18)31-21-8-2-3-9-21)10-13-25(30)29-23-17-27(14-5-15-27)32-24-12-11-20(28)16-22(23)24/h4,6-7,11-12,16,21,23H,2-3,5,8-10,13-15,17H2,1H3,(H,29,30)
InChIKeyXYBZKQHMGIIFAF-UHFFFAOYSA-N
XLogP6.47
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.01
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4R)-6-chlorospiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]-3-(2-cyclopentyloxyphenyl)propanamide
CID 68790910
N-(6-chlorospiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl)-3-(2-cyclopentyloxy-3-methylphenyl)propanimidate
CID 143828405
N-[(4R)-6-chlorospiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]-2-(3-cyclopentyloxyphenyl)propanamide
CID 68790542
3-(2,4-dichlorophenyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylpropanamide
CID 133225052
N-(7-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl)-2-naphthalen-1-ylacetamide
CID 143828436
2-(4-chloro-2-fluorophenyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylacetamide
CID 133162770
3-amino-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylpropanamide;hydrochloride
CID 119341948
N-(6-chlorospiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl)-2-(6-methoxynaphthalen-2-yl)propanamide
CID 74930192
6-chloro-N-[4-(3-chloro-4-methoxyphenyl)but-1-en-2-yl]spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 143828432
3-(4-chlorophenyl)-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]propanamide
CID 100590438
3-(2,4-dichlorophenyl)-N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]propanamide
CID 100608648
2-(2-fluorophenyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylacetamide
CID 133166982

Frequently Asked Questions

What is the IUPAC name of N-(6-chlorospiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl)-3-(2-cyclopentyloxy-3-methylphenyl)propanamide?
The IUPAC name of N-(6-chlorospiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl)-3-(2-cyclopentyloxy-3-methylphenyl)propanamide (CID 74930646) is N-(6-chlorospiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl)-3-(2-cyclopentyloxy-3-methylphenyl)propanamide.
What is the SMILES notation for N-(6-chlorospiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl)-3-(2-cyclopentyloxy-3-methylphenyl)propanamide?
The canonical SMILES for N-(6-chlorospiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl)-3-(2-cyclopentyloxy-3-methylphenyl)propanamide is Cc1cccc(CCC(=O)NC2CC3(CCC3)Oc3ccc(Cl)cc32)c1OC1CCCC1.
What is the InChIKey of N-(6-chlorospiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl)-3-(2-cyclopentyloxy-3-methylphenyl)propanamide?
The InChIKey is XYBZKQHMGIIFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32ClNO3/c1-18-6-4-7-19(26(18)31-21-8-2-3-9-21)10-13-25(30)29-23-17-27(14-5-15-27)32-24-12-11-20(28)16-22(23)24/h4,6-7,11-12,16,21,23H,2-3,5,8-10,13-15,17H2,1H3,(H,29,30).
What are the key properties of N-(6-chlorospiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl)-3-(2-cyclopentyloxy-3-methylphenyl)propanamide?
N-(6-chlorospiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl)-3-(2-cyclopentyloxy-3-methylphenyl)propanamide has a molecular weight of 454.01 g/mol, XLogP of 6.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chlorospiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl)-3-(2-cyclopentyloxy-3-methylphenyl)propanamide is sourced from PubChem (CID 74930646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).