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

C27H43N5O2 — CID 130200593

IUPAC2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[2-(dimethylamino)ethyl]acetamide
SMILESCN(C)CCNC(=O)CN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2CCC2)C1=O
InChIInChI=1S/C27H43N5O2/c1-29(2)18-17-28-24(33)20-31-21-26(32(25(31)34)19-22-9-8-10-22)13-15-27(16-14-26,30(3)4)23-11-6-5-7-12-23/h5-7,11-12,22H,8-10,13-21H2,1-4H3,(H,28,33)
InChIKeyHNIAQDQMUQBMDQ-UHFFFAOYSA-N
MW469.67 g/mol
LogP2.97
Rot. Bonds9

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

2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[2-(dimethylamino)ethyl]acetamide (PubChem CID 130200593) has the molecular formula C27H43N5O2 and a molecular weight of 469.67 g/mol. Its IUPAC name is 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[2-(dimethylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[2-(dimethylamino)ethyl]acetamide
PubChem CID130200593
Molecular FormulaC27H43N5O2
Molecular Weight469.67 g/mol
Exact Mass469.34
IUPAC Name2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[2-(dimethylamino)ethyl]acetamide
SMILESCN(C)CCNC(=O)CN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2CCC2)C1=O
InChIInChI=1S/C27H43N5O2/c1-29(2)18-17-28-24(33)20-31-21-26(32(25(31)34)19-22-9-8-10-22)13-15-27(16-14-26,30(3)4)23-11-6-5-7-12-23/h5-7,11-12,22H,8-10,13-21H2,1-4H3,(H,28,33)
InChIKeyHNIAQDQMUQBMDQ-UHFFFAOYSA-N
XLogP2.97
TPSA59.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.67
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-[2-(dimethylamino)ethyl]acetamide?
The IUPAC name of 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[2-(dimethylamino)ethyl]acetamide (CID 130200593) is 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[2-(dimethylamino)ethyl]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-[2-(dimethylamino)ethyl]acetamide?
The canonical SMILES for 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[2-(dimethylamino)ethyl]acetamide is CN(C)CCNC(=O)CN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2CCC2)C1=O.
What is the InChIKey of 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[2-(dimethylamino)ethyl]acetamide?
The InChIKey is HNIAQDQMUQBMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H43N5O2/c1-29(2)18-17-28-24(33)20-31-21-26(32(25(31)34)19-22-9-8-10-22)13-15-27(16-14-26,30(3)4)23-11-6-5-7-12-23/h5-7,11-12,22H,8-10,13-21H2,1-4H3,(H,28,33).
What are the key properties of 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[2-(dimethylamino)ethyl]acetamide?
2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[2-(dimethylamino)ethyl]acetamide has a molecular weight of 469.67 g/mol, XLogP of 2.97, 9 rotatable bonds, 1 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-[2-(dimethylamino)ethyl]acetamide is sourced from PubChem (CID 130200593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).