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

C27H40N4O3 — CID 130200570

IUPAC2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(1-hydroxycyclopropyl)methyl]acetamide
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)NCC1(O)CC1)C(=O)N2CC1CCC1
InChIInChI=1S/C27H40N4O3/c1-29(2)27(22-9-4-3-5-10-22)15-11-25(12-16-27)20-30(18-23(32)28-19-26(34)13-14-26)24(33)31(25)17-21-7-6-8-21/h3-5,9-10,21,34H,6-8,11-20H2,1-2H3,(H,28,32)
InChIKeyVNVNAZBJRLYPQB-UHFFFAOYSA-N
MW468.64 g/mol
LogP2.94
Rot. Bonds8

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

2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(1-hydroxycyclopropyl)methyl]acetamide (PubChem CID 130200570) has the molecular formula C27H40N4O3 and a molecular weight of 468.64 g/mol. Its IUPAC name is 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(1-hydroxycyclopropyl)methyl]acetamide.

Molecular Properties

Compound Name2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(1-hydroxycyclopropyl)methyl]acetamide
PubChem CID130200570
Molecular FormulaC27H40N4O3
Molecular Weight468.64 g/mol
Exact Mass468.31
IUPAC Name2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(1-hydroxycyclopropyl)methyl]acetamide
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)NCC1(O)CC1)C(=O)N2CC1CCC1
InChIInChI=1S/C27H40N4O3/c1-29(2)27(22-9-4-3-5-10-22)15-11-25(12-16-27)20-30(18-23(32)28-19-26(34)13-14-26)24(33)31(25)17-21-7-6-8-21/h3-5,9-10,21,34H,6-8,11-20H2,1-2H3,(H,28,32)
InChIKeyVNVNAZBJRLYPQB-UHFFFAOYSA-N
XLogP2.94
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.64
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

US10807989, Example SC_1345
CID 130200483
US10807989, Example SC_1352
CID 130200707
US10807989, Example SC_1349
CID 130200783
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
US10807989, Example SC_1177
CID 130200460

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-[(1-hydroxycyclopropyl)methyl]acetamide?
The IUPAC name of 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(1-hydroxycyclopropyl)methyl]acetamide (CID 130200570) is 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(1-hydroxycyclopropyl)methyl]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-[(1-hydroxycyclopropyl)methyl]acetamide?
The canonical SMILES for 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(1-hydroxycyclopropyl)methyl]acetamide is CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)NCC1(O)CC1)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-[(1-hydroxycyclopropyl)methyl]acetamide?
The InChIKey is VNVNAZBJRLYPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40N4O3/c1-29(2)27(22-9-4-3-5-10-22)15-11-25(12-16-27)20-30(18-23(32)28-19-26(34)13-14-26)24(33)31(25)17-21-7-6-8-21/h3-5,9-10,21,34H,6-8,11-20H2,1-2H3,(H,28,32).
What are the key properties of 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(1-hydroxycyclopropyl)methyl]acetamide?
2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(1-hydroxycyclopropyl)methyl]acetamide has a molecular weight of 468.64 g/mol, XLogP of 2.94, 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-[(1-hydroxycyclopropyl)methyl]acetamide is sourced from PubChem (CID 130200570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).