(3-ethyl-4-propan-2-yloxyphenyl)-(3-methyl-4-propan-2-yloxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)methanone

C29H39NO4 — CID 130371065

IUPAC(3-ethyl-4-propan-2-yloxyphenyl)-(3-methyl-4-propan-2-yloxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)methanone
SMILESCCc1cc(C(=O)N2CCC3(CC2)Oc2ccccc2C(OC(C)C)C3C)ccc1OC(C)C
InChIInChI=1S/C29H39NO4/c1-7-22-18-23(12-13-25(22)32-19(2)3)28(31)30-16-14-29(15-17-30)21(6)27(33-20(4)5)24-10-8-9-11-26(24)34-29/h8-13,18-21,27H,7,14-17H2,1-6H3
InChIKeyXHPXOMFKDQDIHN-UHFFFAOYSA-N
MW465.63 g/mol
LogP6.21
Rot. Bonds6

About (3-ethyl-4-propan-2-yloxyphenyl)-(3-methyl-4-propan-2-yloxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)methanone

(3-ethyl-4-propan-2-yloxyphenyl)-(3-methyl-4-propan-2-yloxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)methanone (PubChem CID 130371065) has the molecular formula C29H39NO4 and a molecular weight of 465.63 g/mol. Its IUPAC name is (3-ethyl-4-propan-2-yloxyphenyl)-(3-methyl-4-propan-2-yloxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)methanone.

Molecular Properties

Compound Name(3-ethyl-4-propan-2-yloxyphenyl)-(3-methyl-4-propan-2-yloxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)methanone
PubChem CID130371065
Molecular FormulaC29H39NO4
Molecular Weight465.63 g/mol
Exact Mass465.29
IUPAC Name(3-ethyl-4-propan-2-yloxyphenyl)-(3-methyl-4-propan-2-yloxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)methanone
SMILESCCc1cc(C(=O)N2CCC3(CC2)Oc2ccccc2C(OC(C)C)C3C)ccc1OC(C)C
InChIInChI=1S/C29H39NO4/c1-7-22-18-23(12-13-25(22)32-19(2)3)28(31)30-16-14-29(15-17-30)21(6)27(33-20(4)5)24-10-8-9-11-26(24)34-29/h8-13,18-21,27H,7,14-17H2,1-6H3
InChIKeyXHPXOMFKDQDIHN-UHFFFAOYSA-N
XLogP6.21
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.63
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3,3-dimethyl-4-propan-2-yloxyspiro[4H-chromene-2,4'-piperidine]-1'-yl)-(3-methoxy-4-propan-2-yloxyphenyl)methanone;(4-hydroxy-3,3-dimethylspiro[4H-chromene-2,4'-piperidine]-1'-yl)-(3-methoxy-4-propan-2-yloxyphenyl)methanone;propan-2-ol;hydrochloride
CID 157461389
(6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-[3-(methylaminomethyl)-4-propan-2-yloxyphenyl]methanone
CID 130371312
(3,4-diethoxyphenyl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone
CID 90565605
(3-methyl-4-propan-2-yloxyphenyl)-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone
CID 58551586
[4-(3-ethyl-4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 110802032
[2-(2-chlorophenyl)-4-(2,2-difluoroethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-(3-fluoro-4-propan-2-yloxyphenyl)methanone
CID 88924212
(5-fluoro-1-propan-2-yloxyspiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1'-yl)-(3-methoxy-4-propan-2-yloxyphenyl)methanone
CID 130371086
[(4S)-6-fluoro-4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone;molecular hydrogen
CID 158002391
(3-fluoro-4-propan-2-yloxyphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone
CID 58550915
(3-methoxy-4-propan-2-yloxyphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone
CID 54670653
[4-(2,2-difluoroethyl)-2-(4-fluorophenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]methanone
CID 89088387
1-(3-methoxy-4-propan-2-yloxybenzoyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-carbonitrile
CID 58550816

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-4-propan-2-yloxyphenyl)-(3-methyl-4-propan-2-yloxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)methanone?
The IUPAC name of (3-ethyl-4-propan-2-yloxyphenyl)-(3-methyl-4-propan-2-yloxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)methanone (CID 130371065) is (3-ethyl-4-propan-2-yloxyphenyl)-(3-methyl-4-propan-2-yloxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)methanone.
What is the SMILES notation for (3-ethyl-4-propan-2-yloxyphenyl)-(3-methyl-4-propan-2-yloxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)methanone?
The canonical SMILES for (3-ethyl-4-propan-2-yloxyphenyl)-(3-methyl-4-propan-2-yloxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)methanone is CCc1cc(C(=O)N2CCC3(CC2)Oc2ccccc2C(OC(C)C)C3C)ccc1OC(C)C.
What is the InChIKey of (3-ethyl-4-propan-2-yloxyphenyl)-(3-methyl-4-propan-2-yloxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)methanone?
The InChIKey is XHPXOMFKDQDIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39NO4/c1-7-22-18-23(12-13-25(22)32-19(2)3)28(31)30-16-14-29(15-17-30)21(6)27(33-20(4)5)24-10-8-9-11-26(24)34-29/h8-13,18-21,27H,7,14-17H2,1-6H3.
What are the key properties of (3-ethyl-4-propan-2-yloxyphenyl)-(3-methyl-4-propan-2-yloxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)methanone?
(3-ethyl-4-propan-2-yloxyphenyl)-(3-methyl-4-propan-2-yloxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)methanone has a molecular weight of 465.63 g/mol, XLogP of 6.21, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-4-propan-2-yloxyphenyl)-(3-methyl-4-propan-2-yloxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)methanone is sourced from PubChem (CID 130371065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).