N-[[2-(diethylaminomethyl)phenyl]methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide

C22H32N4O3 — CID 24551077

IUPACN-[[2-(diethylaminomethyl)phenyl]methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
SMILESCCN(CC)Cc1ccccc1CNC(=O)CCN1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C22H32N4O3/c1-3-25(4-2)16-18-10-6-5-9-17(18)15-23-19(27)11-14-26-20(28)22(24-21(26)29)12-7-8-13-22/h5-6,9-10H,3-4,7-8,11-16H2,1-2H3,(H,23,27)(H,24,29)
InChIKeyURPOIMNSZJCIEM-UHFFFAOYSA-N
MW400.52 g/mol
LogP2.40
Rot. Bonds9

About N-[[2-(diethylaminomethyl)phenyl]methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide

N-[[2-(diethylaminomethyl)phenyl]methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide (PubChem CID 24551077) has the molecular formula C22H32N4O3 and a molecular weight of 400.52 g/mol. Its IUPAC name is N-[[2-(diethylaminomethyl)phenyl]methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide.

Molecular Properties

Compound NameN-[[2-(diethylaminomethyl)phenyl]methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
PubChem CID24551077
Molecular FormulaC22H32N4O3
Molecular Weight400.52 g/mol
Exact Mass400.25
IUPAC NameN-[[2-(diethylaminomethyl)phenyl]methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
SMILESCCN(CC)Cc1ccccc1CNC(=O)CCN1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C22H32N4O3/c1-3-25(4-2)16-18-10-6-5-9-17(18)15-23-19(27)11-14-26-20(28)22(24-21(26)29)12-7-8-13-22/h5-6,9-10H,3-4,7-8,11-16H2,1-2H3,(H,23,27)(H,24,29)
InChIKeyURPOIMNSZJCIEM-UHFFFAOYSA-N
XLogP2.40
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(diethylaminomethyl)phenyl]methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide?
The IUPAC name of N-[[2-(diethylaminomethyl)phenyl]methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide (CID 24551077) is N-[[2-(diethylaminomethyl)phenyl]methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide.
What is the SMILES notation for N-[[2-(diethylaminomethyl)phenyl]methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide?
The canonical SMILES for N-[[2-(diethylaminomethyl)phenyl]methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide is CCN(CC)Cc1ccccc1CNC(=O)CCN1C(=O)NC2(CCCC2)C1=O.
What is the InChIKey of N-[[2-(diethylaminomethyl)phenyl]methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide?
The InChIKey is URPOIMNSZJCIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O3/c1-3-25(4-2)16-18-10-6-5-9-17(18)15-23-19(27)11-14-26-20(28)22(24-21(26)29)12-7-8-13-22/h5-6,9-10H,3-4,7-8,11-16H2,1-2H3,(H,23,27)(H,24,29).
What are the key properties of N-[[2-(diethylaminomethyl)phenyl]methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide?
N-[[2-(diethylaminomethyl)phenyl]methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide has a molecular weight of 400.52 g/mol, XLogP of 2.40, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(diethylaminomethyl)phenyl]methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide is sourced from PubChem (CID 24551077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).