2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(2R)-1-hydroxypropan-2-yl]acetamide

C26H40N4O3 — CID 130200528

IUPAC2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(2R)-1-hydroxypropan-2-yl]acetamide
SMILESC[C@H](CO)NC(=O)CN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2CCC2)C1=O
InChIInChI=1S/C26H40N4O3/c1-20(18-31)27-23(32)17-29-19-25(30(24(29)33)16-21-8-7-9-21)12-14-26(15-13-25,28(2)3)22-10-5-4-6-11-22/h4-6,10-11,20-21,31H,7-9,12-19H2,1-3H3,(H,27,32)/t20-,25?,26?/m1/s1
InChIKeyRSODHBDKDUQEGR-LSCLNCKRSA-N
MW456.63 g/mol
LogP2.79
Rot. Bonds8

About 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(2R)-1-hydroxypropan-2-yl]acetamide

2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(2R)-1-hydroxypropan-2-yl]acetamide (PubChem CID 130200528) has the molecular formula C26H40N4O3 and a molecular weight of 456.63 g/mol. Its IUPAC name is 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(2R)-1-hydroxypropan-2-yl]acetamide.

Molecular Properties

Compound Name2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(2R)-1-hydroxypropan-2-yl]acetamide
PubChem CID130200528
Molecular FormulaC26H40N4O3
Molecular Weight456.63 g/mol
Exact Mass456.31
IUPAC Name2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(2R)-1-hydroxypropan-2-yl]acetamide
SMILESC[C@H](CO)NC(=O)CN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2CCC2)C1=O
InChIInChI=1S/C26H40N4O3/c1-20(18-31)27-23(32)17-29-19-25(30(24(29)33)16-21-8-7-9-21)12-14-26(15-13-25,28(2)3)22-10-5-4-6-11-22/h4-6,10-11,20-21,31H,7-9,12-19H2,1-3H3,(H,27,32)/t20-,25?,26?/m1/s1
InChIKeyRSODHBDKDUQEGR-LSCLNCKRSA-N
XLogP2.79
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.63
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(2R)-1-hydroxypropan-2-yl]acetamide with MolForge

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Related Compounds

US10807989, Example SC_1345
CID 130200483
US10807989, Example SC_1352
CID 130200707
US10807989, Example SC_1349
CID 130200783
3-[3-(4-Benzhydrylpiperazin-1-yl)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione
CID 145986720
US10807989, Example SC_1359
CID 130200636
US10807989, Example SC_1360
CID 130200637
US10807989, Example SC_1356
CID 130200704
US10793528, Example SC_5069
CID 130200865
US10807989, Example SC_1103
CID 130200911
US10793528, Example SC_5046
CID 130201069
US10807989, Example SC_1122
CID 130200450
US10807989, Example SC_1223
CID 130200458

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(2R)-1-hydroxypropan-2-yl]acetamide?
The IUPAC name of 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(2R)-1-hydroxypropan-2-yl]acetamide (CID 130200528) is 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(2R)-1-hydroxypropan-2-yl]acetamide.
What is the SMILES notation for 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(2R)-1-hydroxypropan-2-yl]acetamide?
The canonical SMILES for 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(2R)-1-hydroxypropan-2-yl]acetamide is C[C@H](CO)NC(=O)CN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2CCC2)C1=O.
What is the InChIKey of 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(2R)-1-hydroxypropan-2-yl]acetamide?
The InChIKey is RSODHBDKDUQEGR-LSCLNCKRSA-N. The full InChI is InChI=1S/C26H40N4O3/c1-20(18-31)27-23(32)17-29-19-25(30(24(29)33)16-21-8-7-9-21)12-14-26(15-13-25,28(2)3)22-10-5-4-6-11-22/h4-6,10-11,20-21,31H,7-9,12-19H2,1-3H3,(H,27,32)/t20-,25?,26?/m1/s1.
What are the key properties of 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(2R)-1-hydroxypropan-2-yl]acetamide?
2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(2R)-1-hydroxypropan-2-yl]acetamide has a molecular weight of 456.63 g/mol, XLogP of 2.79, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(2R)-1-hydroxypropan-2-yl]acetamide is sourced from PubChem (CID 130200528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).