2-[[2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-2-methylpropanamide

C26H39N5O3 — CID 130200492

IUPAC2-[[2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-2-methylpropanamide
SMILESCNC1(c2ccccc2)CCC2(CC1)CN(CC(=O)NC(C)(C)C(N)=O)C(=O)N2CC1CCC1
InChIInChI=1S/C26H39N5O3/c1-24(2,22(27)33)29-21(32)17-30-18-25(31(23(30)34)16-19-8-7-9-19)12-14-26(28-3,15-13-25)20-10-5-4-6-11-20/h4-6,10-11,19,28H,7-9,12-18H2,1-3H3,(H2,27,33)(H,29,32)
InChIKeyRIDPCTPTHMTMGS-UHFFFAOYSA-N
MW469.63 g/mol
LogP2.33
Rot. Bonds8

About 2-[[2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-2-methylpropanamide

2-[[2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-2-methylpropanamide (PubChem CID 130200492) has the molecular formula C26H39N5O3 and a molecular weight of 469.63 g/mol. Its IUPAC name is 2-[[2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-2-methylpropanamide.

Molecular Properties

Compound Name2-[[2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-2-methylpropanamide
PubChem CID130200492
Molecular FormulaC26H39N5O3
Molecular Weight469.63 g/mol
Exact Mass469.31
IUPAC Name2-[[2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-2-methylpropanamide
SMILESCNC1(c2ccccc2)CCC2(CC1)CN(CC(=O)NC(C)(C)C(N)=O)C(=O)N2CC1CCC1
InChIInChI=1S/C26H39N5O3/c1-24(2,22(27)33)29-21(32)17-30-18-25(31(23(30)34)16-19-8-7-9-19)12-14-26(28-3,15-13-25)20-10-5-4-6-11-20/h4-6,10-11,19,28H,7-9,12-18H2,1-3H3,(H2,27,33)(H,29,32)
InChIKeyRIDPCTPTHMTMGS-UHFFFAOYSA-N
XLogP2.33
TPSA107.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.63
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-2-methylpropanamide?
The IUPAC name of 2-[[2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-2-methylpropanamide (CID 130200492) is 2-[[2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-2-methylpropanamide.
What is the SMILES notation for 2-[[2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-2-methylpropanamide?
The canonical SMILES for 2-[[2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-2-methylpropanamide is CNC1(c2ccccc2)CCC2(CC1)CN(CC(=O)NC(C)(C)C(N)=O)C(=O)N2CC1CCC1.
What is the InChIKey of 2-[[2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-2-methylpropanamide?
The InChIKey is RIDPCTPTHMTMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39N5O3/c1-24(2,22(27)33)29-21(32)17-30-18-25(31(23(30)34)16-19-8-7-9-19)12-14-26(28-3,15-13-25)20-10-5-4-6-11-20/h4-6,10-11,19,28H,7-9,12-18H2,1-3H3,(H2,27,33)(H,29,32).
What are the key properties of 2-[[2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-2-methylpropanamide?
2-[[2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-2-methylpropanamide has a molecular weight of 469.63 g/mol, XLogP of 2.33, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-2-methylpropanamide is sourced from PubChem (CID 130200492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).