(3R)-4-benzoyl-8-(3-methylbenzoyl)-N-propan-2-yl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide

C26H31N3O4 — CID 93137358

IUPAC(3R)-4-benzoyl-8-(3-methylbenzoyl)-N-propan-2-yl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCc1cccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)NC(C)C)N3C(=O)c2ccccc2)c1
InChIInChI=1S/C26H31N3O4/c1-18(2)27-23(30)22-17-33-26(29(22)25(32)20-9-5-4-6-10-20)12-14-28(15-13-26)24(31)21-11-7-8-19(3)16-21/h4-11,16,18,22H,12-15,17H2,1-3H3,(H,27,30)/t22-/m1/s1
InChIKeyMYNMSVFNWDWZDP-JOCHJYFZSA-N
MW449.55 g/mol
LogP2.99
Rot. Bonds4

About (3R)-4-benzoyl-8-(3-methylbenzoyl)-N-propan-2-yl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide

(3R)-4-benzoyl-8-(3-methylbenzoyl)-N-propan-2-yl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 93137358) has the molecular formula C26H31N3O4 and a molecular weight of 449.55 g/mol. Its IUPAC name is (3R)-4-benzoyl-8-(3-methylbenzoyl)-N-propan-2-yl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound Name(3R)-4-benzoyl-8-(3-methylbenzoyl)-N-propan-2-yl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
PubChem CID93137358
Molecular FormulaC26H31N3O4
Molecular Weight449.55 g/mol
Exact Mass449.23
IUPAC Name(3R)-4-benzoyl-8-(3-methylbenzoyl)-N-propan-2-yl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCc1cccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)NC(C)C)N3C(=O)c2ccccc2)c1
InChIInChI=1S/C26H31N3O4/c1-18(2)27-23(30)22-17-33-26(29(22)25(32)20-9-5-4-6-10-20)12-14-28(15-13-26)24(31)21-11-7-8-19(3)16-21/h4-11,16,18,22H,12-15,17H2,1-3H3,(H,27,30)/t22-/m1/s1
InChIKeyMYNMSVFNWDWZDP-JOCHJYFZSA-N
XLogP2.99
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.55
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-4-benzoyl-8-(3-chlorobenzoyl)-N-propan-2-yl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93137336
(3S)-4-(4-fluorobenzoyl)-8-(3-methylbenzoyl)-N-[(1S)-1-phenylethyl]-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93136862
N-butan-2-yl-8-(3-methoxybenzoyl)-4-(3-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 71955315
(3S)-8-(3-chlorobenzoyl)-4-(2-methylbenzoyl)-N-propan-2-yl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93137873
(3R)-4-(4-fluorobenzoyl)-8-(3-methoxybenzoyl)-N-propan-2-yl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93136825
(3R)-8-methyl-4-(3-methylbenzoyl)-N-[(1R)-1-phenylethyl]-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 93144506
8-(4-ethylbenzoyl)-4-(3-methylbenzoyl)-N-propyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 71956660
(3S)-4,8-bis(3-methylbenzoyl)-N-(pyridin-2-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93137595
[(3R)-4,8-bis(3-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decan-3-yl]-morpholin-4-ylmethanone
CID 93137608
(3R)-4-benzoyl-N-[(2R)-butan-2-yl]-8-(4-methoxybenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 97478128
8-(4-fluorobenzoyl)-4-(3-methylbenzoyl)-N-(oxolan-2-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 71956144
(3R)-4-(4-fluorobenzoyl)-8-(3-methylbenzoyl)-N-(pyridin-4-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93136857

Frequently Asked Questions

What is the IUPAC name of (3R)-4-benzoyl-8-(3-methylbenzoyl)-N-propan-2-yl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide?
The IUPAC name of (3R)-4-benzoyl-8-(3-methylbenzoyl)-N-propan-2-yl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide (CID 93137358) is (3R)-4-benzoyl-8-(3-methylbenzoyl)-N-propan-2-yl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for (3R)-4-benzoyl-8-(3-methylbenzoyl)-N-propan-2-yl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for (3R)-4-benzoyl-8-(3-methylbenzoyl)-N-propan-2-yl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide is Cc1cccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)NC(C)C)N3C(=O)c2ccccc2)c1.
What is the InChIKey of (3R)-4-benzoyl-8-(3-methylbenzoyl)-N-propan-2-yl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide?
The InChIKey is MYNMSVFNWDWZDP-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H31N3O4/c1-18(2)27-23(30)22-17-33-26(29(22)25(32)20-9-5-4-6-10-20)12-14-28(15-13-26)24(31)21-11-7-8-19(3)16-21/h4-11,16,18,22H,12-15,17H2,1-3H3,(H,27,30)/t22-/m1/s1.
What are the key properties of (3R)-4-benzoyl-8-(3-methylbenzoyl)-N-propan-2-yl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide?
(3R)-4-benzoyl-8-(3-methylbenzoyl)-N-propan-2-yl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide has a molecular weight of 449.55 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-benzoyl-8-(3-methylbenzoyl)-N-propan-2-yl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 93137358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).