2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(3-morpholin-4-yl-3-oxopropyl)acetamide

C30H45N5O4 — CID 130200564

IUPAC2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(3-morpholin-4-yl-3-oxopropyl)acetamide
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)NCCC(=O)N1CCOCC1)C(=O)N2CC1CCC1
InChIInChI=1S/C30H45N5O4/c1-32(2)30(25-9-4-3-5-10-25)14-12-29(13-15-30)23-34(28(38)35(29)21-24-7-6-8-24)22-26(36)31-16-11-27(37)33-17-19-39-20-18-33/h3-5,9-10,24H,6-8,11-23H2,1-2H3,(H,31,36)
InChIKeyYNHKXWCYHARYJV-UHFFFAOYSA-N
MW539.72 g/mol
LogP2.66
Rot. Bonds9

About 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(3-morpholin-4-yl-3-oxopropyl)acetamide

2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(3-morpholin-4-yl-3-oxopropyl)acetamide (PubChem CID 130200564) has the molecular formula C30H45N5O4 and a molecular weight of 539.72 g/mol. Its IUPAC name is 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(3-morpholin-4-yl-3-oxopropyl)acetamide.

Molecular Properties

Compound Name2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(3-morpholin-4-yl-3-oxopropyl)acetamide
PubChem CID130200564
Molecular FormulaC30H45N5O4
Molecular Weight539.72 g/mol
Exact Mass539.35
IUPAC Name2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(3-morpholin-4-yl-3-oxopropyl)acetamide
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)NCCC(=O)N1CCOCC1)C(=O)N2CC1CCC1
InChIInChI=1S/C30H45N5O4/c1-32(2)30(25-9-4-3-5-10-25)14-12-29(13-15-30)23-34(28(38)35(29)21-24-7-6-8-24)22-26(36)31-16-11-27(37)33-17-19-39-20-18-33/h3-5,9-10,24H,6-8,11-23H2,1-2H3,(H,31,36)
InChIKeyYNHKXWCYHARYJV-UHFFFAOYSA-N
XLogP2.66
TPSA85.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.72
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(3-morpholin-4-yl-3-oxopropyl)acetamide with MolForge

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Related Compounds

US10807989, Example SC_1352
CID 130200707
US10807989, Example SC_1349
CID 130200783
US10807989, Example SC_1360
CID 130200637
US10807989, Example SC_1356
CID 130200704
N-[2-[(2S,4R)-2-[[(S)-(4-cyclopropyl-3-fluorophenyl)-phenylmethyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-4-(2-methoxyethyl)piperazine-1-carboxamide
CID 165140776
N-[2-[(2S,4R)-2-[[(S)-(4-cyclopropyl-3-fluorophenyl)-phenylmethyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]morpholine-4-carboxamide
CID 169551318
US10793528, Example SC_5069
CID 130200865
US10807989, Example SC_1103
CID 130200911
US10793528, Example SC_5046
CID 130201069
5-Methyl-3-[2-(4-morpholinyl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 2999402
2-(3-Benzyl-2-oxoimidazolidin-1-YL)-N-[3-(morpholin-4-YL)propyl]acetamide
CID 6625049
(S)-2-(3-Benzyl-3-methyl-ureido)-N-(3-morpholin-4-yl-propyl)-3-phenyl-propionamide
CID 44390994

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-(3-morpholin-4-yl-3-oxopropyl)acetamide?
The IUPAC name of 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(3-morpholin-4-yl-3-oxopropyl)acetamide (CID 130200564) is 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(3-morpholin-4-yl-3-oxopropyl)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-(3-morpholin-4-yl-3-oxopropyl)acetamide?
The canonical SMILES for 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(3-morpholin-4-yl-3-oxopropyl)acetamide is CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)NCCC(=O)N1CCOCC1)C(=O)N2CC1CCC1.
What is the InChIKey of 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(3-morpholin-4-yl-3-oxopropyl)acetamide?
The InChIKey is YNHKXWCYHARYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H45N5O4/c1-32(2)30(25-9-4-3-5-10-25)14-12-29(13-15-30)23-34(28(38)35(29)21-24-7-6-8-24)22-26(36)31-16-11-27(37)33-17-19-39-20-18-33/h3-5,9-10,24H,6-8,11-23H2,1-2H3,(H,31,36).
What are the key properties of 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(3-morpholin-4-yl-3-oxopropyl)acetamide?
2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(3-morpholin-4-yl-3-oxopropyl)acetamide has a molecular weight of 539.72 g/mol, XLogP of 2.66, 9 rotatable bonds, 1 hydrogen bond donors, and 5 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-(3-morpholin-4-yl-3-oxopropyl)acetamide is sourced from PubChem (CID 130200564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).