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

C27H37N5O2 — CID 130200517

IUPACN-(1-cyanocyclopropyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)NC1(C#N)CC1)C(=O)N2CC1CCC1
InChIInChI=1S/C27H37N5O2/c1-30(2)27(22-9-4-3-5-10-22)15-13-26(14-16-27)20-31(18-23(33)29-25(19-28)11-12-25)24(34)32(26)17-21-7-6-8-21/h3-5,9-10,21H,6-8,11-18,20H2,1-2H3,(H,29,33)
InChIKeyXFVUEILDPXIEBP-UHFFFAOYSA-N
MW463.63 g/mol
LogP3.47
Rot. Bonds7

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

N-(1-cyanocyclopropyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide (PubChem CID 130200517) has the molecular formula C27H37N5O2 and a molecular weight of 463.63 g/mol. Its IUPAC name is N-(1-cyanocyclopropyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide.

Molecular Properties

Compound NameN-(1-cyanocyclopropyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide
PubChem CID130200517
Molecular FormulaC27H37N5O2
Molecular Weight463.63 g/mol
Exact Mass463.29
IUPAC NameN-(1-cyanocyclopropyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)NC1(C#N)CC1)C(=O)N2CC1CCC1
InChIInChI=1S/C27H37N5O2/c1-30(2)27(22-9-4-3-5-10-22)15-13-26(14-16-27)20-31(18-23(33)29-25(19-28)11-12-25)24(34)32(26)17-21-7-6-8-21/h3-5,9-10,21H,6-8,11-18,20H2,1-2H3,(H,29,33)
InChIKeyXFVUEILDPXIEBP-UHFFFAOYSA-N
XLogP3.47
TPSA79.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.63
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopropyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
The IUPAC name of N-(1-cyanocyclopropyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide (CID 130200517) is N-(1-cyanocyclopropyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide.
What is the SMILES notation for N-(1-cyanocyclopropyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
The canonical SMILES for N-(1-cyanocyclopropyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide is CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)NC1(C#N)CC1)C(=O)N2CC1CCC1.
What is the InChIKey of N-(1-cyanocyclopropyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
The InChIKey is XFVUEILDPXIEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N5O2/c1-30(2)27(22-9-4-3-5-10-22)15-13-26(14-16-27)20-31(18-23(33)29-25(19-28)11-12-25)24(34)32(26)17-21-7-6-8-21/h3-5,9-10,21H,6-8,11-18,20H2,1-2H3,(H,29,33).
What are the key properties of N-(1-cyanocyclopropyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
N-(1-cyanocyclopropyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide has a molecular weight of 463.63 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclopropyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide is sourced from PubChem (CID 130200517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).