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

C26H30ClNO3 — CID 68790910

IUPACN-[(4R)-6-chlorospiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]-3-(2-cyclopentyloxyphenyl)propanamide
SMILESO=C(CCc1ccccc1OC1CCCC1)N[C@@H]1CC2(CCC2)Oc2ccc(Cl)cc21
InChIInChI=1S/C26H30ClNO3/c27-19-11-12-24-21(16-19)22(17-26(31-24)14-5-15-26)28-25(29)13-10-18-6-1-4-9-23(18)30-20-7-2-3-8-20/h1,4,6,9,11-12,16,20,22H,2-3,5,7-8,10,13-15,17H2,(H,28,29)/t22-/m1/s1
InChIKeyZVYDVLZGZRNRKQ-JOCHJYFZSA-N
MW439.98 g/mol
LogP6.16
Rot. Bonds6

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

N-[(4R)-6-chlorospiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]-3-(2-cyclopentyloxyphenyl)propanamide (PubChem CID 68790910) has the molecular formula C26H30ClNO3 and a molecular weight of 439.98 g/mol. Its IUPAC name is N-[(4R)-6-chlorospiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]-3-(2-cyclopentyloxyphenyl)propanamide.

Molecular Properties

Compound NameN-[(4R)-6-chlorospiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]-3-(2-cyclopentyloxyphenyl)propanamide
PubChem CID68790910
Molecular FormulaC26H30ClNO3
Molecular Weight439.98 g/mol
Exact Mass439.19
IUPAC NameN-[(4R)-6-chlorospiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]-3-(2-cyclopentyloxyphenyl)propanamide
SMILESO=C(CCc1ccccc1OC1CCCC1)N[C@@H]1CC2(CCC2)Oc2ccc(Cl)cc21
InChIInChI=1S/C26H30ClNO3/c27-19-11-12-24-21(16-19)22(17-26(31-24)14-5-15-26)28-25(29)13-10-18-6-1-4-9-23(18)30-20-7-2-3-8-20/h1,4,6,9,11-12,16,20,22H,2-3,5,7-8,10,13-15,17H2,(H,28,29)/t22-/m1/s1
InChIKeyZVYDVLZGZRNRKQ-JOCHJYFZSA-N
XLogP6.16
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.98
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-chlorospiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl)-3-(2-cyclopentyloxy-3-methylphenyl)propanamide
CID 74930646
3-(2,4-dichlorophenyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylpropanamide
CID 133225052
N-[(4R)-6-chlorospiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]-2-(3-cyclopentyloxyphenyl)propanamide
CID 68790542
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)-3-(2-cyclopentyloxy-3-methylphenyl)propanimidate
CID 143828405
2-(2-fluorophenyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylacetamide
CID 133166982
6-chloro-N-[4-(3-chloro-4-methoxyphenyl)but-1-en-2-yl]spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 143828432
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3-(2-ethoxyphenyl)propanamide
CID 46671847
2-hydroxy-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]acetamide
CID 99974584
2-hydroxy-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylacetamide
CID 86285388
N-(6-chlorospiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl)-2-(6-methoxynaphthalen-2-yl)propanamide
CID 74930192

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-6-chlorospiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]-3-(2-cyclopentyloxyphenyl)propanamide?
The IUPAC name of N-[(4R)-6-chlorospiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]-3-(2-cyclopentyloxyphenyl)propanamide (CID 68790910) is N-[(4R)-6-chlorospiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]-3-(2-cyclopentyloxyphenyl)propanamide.
What is the SMILES notation for N-[(4R)-6-chlorospiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]-3-(2-cyclopentyloxyphenyl)propanamide?
The canonical SMILES for N-[(4R)-6-chlorospiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]-3-(2-cyclopentyloxyphenyl)propanamide is O=C(CCc1ccccc1OC1CCCC1)N[C@@H]1CC2(CCC2)Oc2ccc(Cl)cc21.
What is the InChIKey of N-[(4R)-6-chlorospiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]-3-(2-cyclopentyloxyphenyl)propanamide?
The InChIKey is ZVYDVLZGZRNRKQ-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H30ClNO3/c27-19-11-12-24-21(16-19)22(17-26(31-24)14-5-15-26)28-25(29)13-10-18-6-1-4-9-23(18)30-20-7-2-3-8-20/h1,4,6,9,11-12,16,20,22H,2-3,5,7-8,10,13-15,17H2,(H,28,29)/t22-/m1/s1.
What are the key properties of N-[(4R)-6-chlorospiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]-3-(2-cyclopentyloxyphenyl)propanamide?
N-[(4R)-6-chlorospiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]-3-(2-cyclopentyloxyphenyl)propanamide has a molecular weight of 439.98 g/mol, XLogP of 6.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-6-chlorospiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]-3-(2-cyclopentyloxyphenyl)propanamide is sourced from PubChem (CID 68790910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).