N-benzyl-2-[2-(dimethylamino)ethyl]-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide

C21H32N4O2 — CID 72916067

IUPACN-benzyl-2-[2-(dimethylamino)ethyl]-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide
SMILESCN(C)CCN1CC2(CCC1=O)CCN(C(=O)NCc1ccccc1)CC2
InChIInChI=1S/C21H32N4O2/c1-23(2)14-15-25-17-21(9-8-19(25)26)10-12-24(13-11-21)20(27)22-16-18-6-4-3-5-7-18/h3-7H,8-17H2,1-2H3,(H,22,27)
InChIKeyNYDREOMTMNMAGR-UHFFFAOYSA-N
MW372.51 g/mol
LogP2.16
Rot. Bonds5

About N-benzyl-2-[2-(dimethylamino)ethyl]-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide

N-benzyl-2-[2-(dimethylamino)ethyl]-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide (PubChem CID 72916067) has the molecular formula C21H32N4O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is N-benzyl-2-[2-(dimethylamino)ethyl]-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-[2-(dimethylamino)ethyl]-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide
PubChem CID72916067
Molecular FormulaC21H32N4O2
Molecular Weight372.51 g/mol
Exact Mass372.25
IUPAC NameN-benzyl-2-[2-(dimethylamino)ethyl]-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide
SMILESCN(C)CCN1CC2(CCC1=O)CCN(C(=O)NCc1ccccc1)CC2
InChIInChI=1S/C21H32N4O2/c1-23(2)14-15-25-17-21(9-8-19(25)26)10-12-24(13-11-21)20(27)22-16-18-6-4-3-5-7-18/h3-7H,8-17H2,1-2H3,(H,22,27)
InChIKeyNYDREOMTMNMAGR-UHFFFAOYSA-N
XLogP2.16
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-3-oxo-2-(2-phenylethyl)-2,9-diazaspiro[5.5]undecane-9-carboxamide
CID 72931172
9-[3-(dimethylamino)benzoyl]-2-[2-(dimethylamino)ethyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72869234
2-[2-(dimethylamino)ethyl]-9-(5-ethyl-1H-pyrrole-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72867065
2-benzyl-9-[3-(dimethylamino)-2-methylpropanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72937334
N-benzyl-4,4-dimethylpiperidine-1-carboxamide
CID 110749470
7-acetyl-N-benzyl-2,7-diazaspiro[3.4]octane-2-carboxamide
CID 97472653
9-(2-methylsulfanylpropanoyl)-2-(2-phenylethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72877158
N-benzyl-4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxaline-1-carboxamide
CID 110355201
2-[2-(dimethylamino)ethyl]-9-[(2S)-2-pyrazol-1-ylbutanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97112348
2-[2-[2-(dimethylamino)ethyl]-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-N-methylpyridine-3-carboxamide
CID 70736482
2-(3-methoxypropyl)-9-(2-phenylacetyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72926962
N-benzyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 3729330

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[2-(dimethylamino)ethyl]-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide?
The IUPAC name of N-benzyl-2-[2-(dimethylamino)ethyl]-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide (CID 72916067) is N-benzyl-2-[2-(dimethylamino)ethyl]-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide.
What is the SMILES notation for N-benzyl-2-[2-(dimethylamino)ethyl]-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide?
The canonical SMILES for N-benzyl-2-[2-(dimethylamino)ethyl]-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide is CN(C)CCN1CC2(CCC1=O)CCN(C(=O)NCc1ccccc1)CC2.
What is the InChIKey of N-benzyl-2-[2-(dimethylamino)ethyl]-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide?
The InChIKey is NYDREOMTMNMAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O2/c1-23(2)14-15-25-17-21(9-8-19(25)26)10-12-24(13-11-21)20(27)22-16-18-6-4-3-5-7-18/h3-7H,8-17H2,1-2H3,(H,22,27).
What are the key properties of N-benzyl-2-[2-(dimethylamino)ethyl]-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide?
N-benzyl-2-[2-(dimethylamino)ethyl]-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide has a molecular weight of 372.51 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[2-(dimethylamino)ethyl]-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide is sourced from PubChem (CID 72916067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).