(3R)-8-methyl-4-(3-methylbenzoyl)-N-[(1R)-1-phenylethyl]-1-oxa-4-azaspiro[4.5]decane-3-carboxamide

C26H32N2O3 — CID 93144506

IUPAC(3R)-8-methyl-4-(3-methylbenzoyl)-N-[(1R)-1-phenylethyl]-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
SMILESCc1cccc(C(=O)N2[C@@H](C(=O)N[C@H](C)c3ccccc3)COC23CCC(C)CC3)c1
InChIInChI=1S/C26H32N2O3/c1-18-12-14-26(15-13-18)28(25(30)22-11-7-8-19(2)16-22)23(17-31-26)24(29)27-20(3)21-9-5-4-6-10-21/h4-11,16,18,20,23H,12-15,17H2,1-3H3,(H,27,29)/t18?,20-,23-,26?/m1/s1
InChIKeyALEITJPGBXWUFN-KUOORVGDSA-N
MW420.55 g/mol
LogP4.62
Rot. Bonds4

About (3R)-8-methyl-4-(3-methylbenzoyl)-N-[(1R)-1-phenylethyl]-1-oxa-4-azaspiro[4.5]decane-3-carboxamide

(3R)-8-methyl-4-(3-methylbenzoyl)-N-[(1R)-1-phenylethyl]-1-oxa-4-azaspiro[4.5]decane-3-carboxamide (PubChem CID 93144506) has the molecular formula C26H32N2O3 and a molecular weight of 420.55 g/mol. Its IUPAC name is (3R)-8-methyl-4-(3-methylbenzoyl)-N-[(1R)-1-phenylethyl]-1-oxa-4-azaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound Name(3R)-8-methyl-4-(3-methylbenzoyl)-N-[(1R)-1-phenylethyl]-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
PubChem CID93144506
Molecular FormulaC26H32N2O3
Molecular Weight420.55 g/mol
Exact Mass420.24
IUPAC Name(3R)-8-methyl-4-(3-methylbenzoyl)-N-[(1R)-1-phenylethyl]-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
SMILESCc1cccc(C(=O)N2[C@@H](C(=O)N[C@H](C)c3ccccc3)COC23CCC(C)CC3)c1
InChIInChI=1S/C26H32N2O3/c1-18-12-14-26(15-13-18)28(25(30)22-11-7-8-19(2)16-22)23(17-31-26)24(29)27-20(3)21-9-5-4-6-10-21/h4-11,16,18,20,23H,12-15,17H2,1-3H3,(H,27,29)/t18?,20-,23-,26?/m1/s1
InChIKeyALEITJPGBXWUFN-KUOORVGDSA-N
XLogP4.62
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.55
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-4-(4-fluorobenzoyl)-8-(3-methylbenzoyl)-N-[(1S)-1-phenylethyl]-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93136862
(3R)-4-benzoyl-8-(3-methylbenzoyl)-N-propan-2-yl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93137358
(3S)-N-[(2R)-butan-2-yl]-4-(3-fluorobenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 93144489
(3S)-4-benzoyl-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid
CID 95657837
N-butan-2-yl-8-(3-methoxybenzoyl)-4-(3-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 71955315
4-(4-methoxybenzoyl)-8-(2-methylbenzoyl)-N-(1-phenylethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 42820873
4-(3-fluorobenzoyl)-8-methyl-N-propyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 71955974
(3R)-4-benzoyl-8-(3-chlorobenzoyl)-N-propan-2-yl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93137336
(3S)-4,8-bis(3-methylbenzoyl)-N-(pyridin-2-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93137595
(3S)-8-(3,3-dimethylbutanoyl)-4-(2-methylbenzoyl)-N-[(1S)-1-phenylethyl]-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93137751
1-[4-[(3S)-4-(3-chlorobenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carbonyl]piperazin-1-yl]ethanone
CID 93144477
8-methyl-4-(3-nitrobenzoyl)-N-(oxolan-2-ylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 71957184

Frequently Asked Questions

What is the IUPAC name of (3R)-8-methyl-4-(3-methylbenzoyl)-N-[(1R)-1-phenylethyl]-1-oxa-4-azaspiro[4.5]decane-3-carboxamide?
The IUPAC name of (3R)-8-methyl-4-(3-methylbenzoyl)-N-[(1R)-1-phenylethyl]-1-oxa-4-azaspiro[4.5]decane-3-carboxamide (CID 93144506) is (3R)-8-methyl-4-(3-methylbenzoyl)-N-[(1R)-1-phenylethyl]-1-oxa-4-azaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for (3R)-8-methyl-4-(3-methylbenzoyl)-N-[(1R)-1-phenylethyl]-1-oxa-4-azaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for (3R)-8-methyl-4-(3-methylbenzoyl)-N-[(1R)-1-phenylethyl]-1-oxa-4-azaspiro[4.5]decane-3-carboxamide is Cc1cccc(C(=O)N2[C@@H](C(=O)N[C@H](C)c3ccccc3)COC23CCC(C)CC3)c1.
What is the InChIKey of (3R)-8-methyl-4-(3-methylbenzoyl)-N-[(1R)-1-phenylethyl]-1-oxa-4-azaspiro[4.5]decane-3-carboxamide?
The InChIKey is ALEITJPGBXWUFN-KUOORVGDSA-N. The full InChI is InChI=1S/C26H32N2O3/c1-18-12-14-26(15-13-18)28(25(30)22-11-7-8-19(2)16-22)23(17-31-26)24(29)27-20(3)21-9-5-4-6-10-21/h4-11,16,18,20,23H,12-15,17H2,1-3H3,(H,27,29)/t18?,20-,23-,26?/m1/s1.
What are the key properties of (3R)-8-methyl-4-(3-methylbenzoyl)-N-[(1R)-1-phenylethyl]-1-oxa-4-azaspiro[4.5]decane-3-carboxamide?
(3R)-8-methyl-4-(3-methylbenzoyl)-N-[(1R)-1-phenylethyl]-1-oxa-4-azaspiro[4.5]decane-3-carboxamide has a molecular weight of 420.55 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-8-methyl-4-(3-methylbenzoyl)-N-[(1R)-1-phenylethyl]-1-oxa-4-azaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 93144506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).