N-(2-amino-2-oxoethyl)-2-[1-(cyclopropylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide

C25H37N5O3 — CID 130200500

IUPACN-(2-amino-2-oxoethyl)-2-[1-(cyclopropylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide
SMILESCN(CC(N)=O)C(=O)CN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2CC2)C1=O
InChIInChI=1S/C25H37N5O3/c1-27(2)25(20-7-5-4-6-8-20)13-11-24(12-14-25)18-29(17-22(32)28(3)16-21(26)31)23(33)30(24)15-19-9-10-19/h4-8,19H,9-18H2,1-3H3,(H2,26,31)
InChIKeyHXKMNENJVZARLL-UHFFFAOYSA-N
MW455.60 g/mol
LogP1.85
Rot. Bonds8

About N-(2-amino-2-oxoethyl)-2-[1-(cyclopropylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide

N-(2-amino-2-oxoethyl)-2-[1-(cyclopropylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide (PubChem CID 130200500) has the molecular formula C25H37N5O3 and a molecular weight of 455.60 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-2-[1-(cyclopropylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-2-[1-(cyclopropylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide
PubChem CID130200500
Molecular FormulaC25H37N5O3
Molecular Weight455.60 g/mol
Exact Mass455.29
IUPAC NameN-(2-amino-2-oxoethyl)-2-[1-(cyclopropylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide
SMILESCN(CC(N)=O)C(=O)CN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2CC2)C1=O
InChIInChI=1S/C25H37N5O3/c1-27(2)25(20-7-5-4-6-8-20)13-11-24(12-14-25)18-29(17-22(32)28(3)16-21(26)31)23(33)30(24)15-19-9-10-19/h4-8,19H,9-18H2,1-3H3,(H2,26,31)
InChIKeyHXKMNENJVZARLL-UHFFFAOYSA-N
XLogP1.85
TPSA90.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.60
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-2-[1-(cyclopropylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-2-[1-(cyclopropylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide (CID 130200500) is N-(2-amino-2-oxoethyl)-2-[1-(cyclopropylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-2-[1-(cyclopropylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-2-[1-(cyclopropylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide is CN(CC(N)=O)C(=O)CN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2CC2)C1=O.
What is the InChIKey of N-(2-amino-2-oxoethyl)-2-[1-(cyclopropylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide?
The InChIKey is HXKMNENJVZARLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N5O3/c1-27(2)25(20-7-5-4-6-8-20)13-11-24(12-14-25)18-29(17-22(32)28(3)16-21(26)31)23(33)30(24)15-19-9-10-19/h4-8,19H,9-18H2,1-3H3,(H2,26,31).
What are the key properties of N-(2-amino-2-oxoethyl)-2-[1-(cyclopropylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide?
N-(2-amino-2-oxoethyl)-2-[1-(cyclopropylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide has a molecular weight of 455.60 g/mol, XLogP of 1.85, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-2-[1-(cyclopropylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide is sourced from PubChem (CID 130200500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).