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

C26H26ClNO3 — CID 74930192

IUPACN-(6-chlorospiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl)-2-(6-methoxynaphthalen-2-yl)propanamide
SMILESCOc1ccc2cc(C(C)C(=O)NC3CC4(CCC4)Oc4ccc(Cl)cc43)ccc2c1
InChIInChI=1S/C26H26ClNO3/c1-16(17-4-5-19-13-21(30-2)8-6-18(19)12-17)25(29)28-23-15-26(10-3-11-26)31-24-9-7-20(27)14-22(23)24/h4-9,12-14,16,23H,3,10-11,15H2,1-2H3,(H,28,29)
InChIKeyZKLSTRSVFYNRPU-UHFFFAOYSA-N
MW435.95 g/mol
LogP6.17
Rot. Bonds4

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

N-(6-chlorospiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl)-2-(6-methoxynaphthalen-2-yl)propanamide (PubChem CID 74930192) has the molecular formula C26H26ClNO3 and a molecular weight of 435.95 g/mol. Its IUPAC name is N-(6-chlorospiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl)-2-(6-methoxynaphthalen-2-yl)propanamide.

Molecular Properties

Compound NameN-(6-chlorospiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl)-2-(6-methoxynaphthalen-2-yl)propanamide
PubChem CID74930192
Molecular FormulaC26H26ClNO3
Molecular Weight435.95 g/mol
Exact Mass435.16
IUPAC NameN-(6-chlorospiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl)-2-(6-methoxynaphthalen-2-yl)propanamide
SMILESCOc1ccc2cc(C(C)C(=O)NC3CC4(CCC4)Oc4ccc(Cl)cc43)ccc2c1
InChIInChI=1S/C26H26ClNO3/c1-16(17-4-5-19-13-21(30-2)8-6-18(19)12-17)25(29)28-23-15-26(10-3-11-26)31-24-9-7-20(27)14-22(23)24/h4-9,12-14,16,23H,3,10-11,15H2,1-2H3,(H,28,29)
InChIKeyZKLSTRSVFYNRPU-UHFFFAOYSA-N
XLogP6.17
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.95
LogP ≤ 56.17
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]-2-(3-cyclopentyloxyphenyl)propanamide
CID 68790542
N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-methylpropanamide
CID 95875389
(2S)-N-(4-methoxycyclohexyl)-2-(6-methoxynaphthalen-2-yl)propanamide
CID 163313623
(2S)-N-(3,4-dihydro-2H-thiochromen-4-yl)-2-(6-methoxynaphthalen-2-yl)propanamide
CID 24547789
6-chloro-N-[4-(3-chloro-4-methoxyphenyl)but-1-en-2-yl]spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 143828432
(2S)-N-hydroxy-2-(6-methoxynaphthalen-2-yl)propanamide
CID 92850098
1-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]cyclopentane-1-carboxylic acid
CID 118779854
N-[(4R)-6-chlorospiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]-3-(2-cyclopentyloxyphenyl)propanamide
CID 68790910
6-chloro-1'-[2-hydroxy-2-(4-methoxyphenyl)ethyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 46966086
1-(6-chloro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-propan-2-ylurea
CID 11403735
N-(6-chlorospiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl)-3-(2-cyclopentyloxy-3-methylphenyl)propanamide
CID 74930646
4-chloro-2-methoxy-N'-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]benzohydrazide
CID 34596366

Frequently Asked Questions

What is the IUPAC name of N-(6-chlorospiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl)-2-(6-methoxynaphthalen-2-yl)propanamide?
The IUPAC name of N-(6-chlorospiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl)-2-(6-methoxynaphthalen-2-yl)propanamide (CID 74930192) is N-(6-chlorospiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl)-2-(6-methoxynaphthalen-2-yl)propanamide.
What is the SMILES notation for N-(6-chlorospiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl)-2-(6-methoxynaphthalen-2-yl)propanamide?
The canonical SMILES for N-(6-chlorospiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl)-2-(6-methoxynaphthalen-2-yl)propanamide is COc1ccc2cc(C(C)C(=O)NC3CC4(CCC4)Oc4ccc(Cl)cc43)ccc2c1.
What is the InChIKey of N-(6-chlorospiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl)-2-(6-methoxynaphthalen-2-yl)propanamide?
The InChIKey is ZKLSTRSVFYNRPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClNO3/c1-16(17-4-5-19-13-21(30-2)8-6-18(19)12-17)25(29)28-23-15-26(10-3-11-26)31-24-9-7-20(27)14-22(23)24/h4-9,12-14,16,23H,3,10-11,15H2,1-2H3,(H,28,29).
What are the key properties of N-(6-chlorospiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl)-2-(6-methoxynaphthalen-2-yl)propanamide?
N-(6-chlorospiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl)-2-(6-methoxynaphthalen-2-yl)propanamide has a molecular weight of 435.95 g/mol, XLogP of 6.17, 4 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)-2-(6-methoxynaphthalen-2-yl)propanamide is sourced from PubChem (CID 74930192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).