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

C27H41N5O3 — CID 130200698

IUPAC2-[[2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]-methylamino]-2-methylpropanamide
SMILESCNC1(c2ccccc2)CCC2(CC1)CN(CC(=O)N(C)C(C)(C)C(N)=O)C(=O)N2CC1CCC1
InChIInChI=1S/C27H41N5O3/c1-25(2,23(28)34)30(4)22(33)18-31-19-26(32(24(31)35)17-20-9-8-10-20)13-15-27(29-3,16-14-26)21-11-6-5-7-12-21/h5-7,11-12,20,29H,8-10,13-19H2,1-4H3,(H2,28,34)
InChIKeySUCSLTOBDYHRAL-UHFFFAOYSA-N
MW483.66 g/mol
LogP2.67
Rot. Bonds8

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

2-[[2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]-methylamino]-2-methylpropanamide (PubChem CID 130200698) has the molecular formula C27H41N5O3 and a molecular weight of 483.66 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]-methylamino]-2-methylpropanamide.

Molecular Properties

Compound Name2-[[2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]-methylamino]-2-methylpropanamide
PubChem CID130200698
Molecular FormulaC27H41N5O3
Molecular Weight483.66 g/mol
Exact Mass483.32
IUPAC Name2-[[2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]-methylamino]-2-methylpropanamide
SMILESCNC1(c2ccccc2)CCC2(CC1)CN(CC(=O)N(C)C(C)(C)C(N)=O)C(=O)N2CC1CCC1
InChIInChI=1S/C27H41N5O3/c1-25(2,23(28)34)30(4)22(33)18-31-19-26(32(24(31)35)17-20-9-8-10-20)13-15-27(29-3,16-14-26)21-11-6-5-7-12-21/h5-7,11-12,20,29H,8-10,13-19H2,1-4H3,(H2,28,34)
InChIKeySUCSLTOBDYHRAL-UHFFFAOYSA-N
XLogP2.67
TPSA98.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.66
LogP ≤ 52.67
H-Bond Donors ≤ 52
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]-methylamino]-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]-methylamino]-2-methylpropanamide (CID 130200698) is 2-[[2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]-methylamino]-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]-methylamino]-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]-methylamino]-2-methylpropanamide is CNC1(c2ccccc2)CCC2(CC1)CN(CC(=O)N(C)C(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]-methylamino]-2-methylpropanamide?
The InChIKey is SUCSLTOBDYHRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H41N5O3/c1-25(2,23(28)34)30(4)22(33)18-31-19-26(32(24(31)35)17-20-9-8-10-20)13-15-27(29-3,16-14-26)21-11-6-5-7-12-21/h5-7,11-12,20,29H,8-10,13-19H2,1-4H3,(H2,28,34).
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]-methylamino]-2-methylpropanamide?
2-[[2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]-methylamino]-2-methylpropanamide has a molecular weight of 483.66 g/mol, XLogP of 2.67, 8 rotatable bonds, 2 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]-methylamino]-2-methylpropanamide is sourced from PubChem (CID 130200698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).