N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

C21H30N4O3 — CID 31544067

IUPACN-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCN(C)Cc1ccc(CNC(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)cc1
InChIInChI=1S/C21H30N4O3/c1-23(2)14-17-9-7-16(8-10-17)13-22-18(26)15-25-19(27)21(24(3)20(25)28)11-5-4-6-12-21/h7-10H,4-6,11-15H2,1-3H3,(H,22,26)
InChIKeySMWWSIDBMPETMZ-UHFFFAOYSA-N
MW386.50 g/mol
LogP1.96
Rot. Bonds6

About N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 31544067) has the molecular formula C21H30N4O3 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

Compound NameN-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
PubChem CID31544067
Molecular FormulaC21H30N4O3
Molecular Weight386.50 g/mol
Exact Mass386.23
IUPAC NameN-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCN(C)Cc1ccc(CNC(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)cc1
InChIInChI=1S/C21H30N4O3/c1-23(2)14-17-9-7-16(8-10-17)13-22-18(26)15-25-19(27)21(24(3)20(25)28)11-5-4-6-12-21/h7-10H,4-6,11-15H2,1-3H3,(H,22,26)
InChIKeySMWWSIDBMPETMZ-UHFFFAOYSA-N
XLogP1.96
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[[4-(phenoxymethyl)phenyl]methyl]acetamide
CID 39509040
N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 55743446
N-[(6-methoxynaphthalen-2-yl)methyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 18139663
N-[[1-(dimethylamino)cycloheptyl]methyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 24647115
2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]acetamide
CID 55745254
N-[(3-methoxyphenyl)methyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 24608696
2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2,4,6-trimethylphenyl)methyl]acetamide
CID 86925590
2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 36714045
2-(4-methylanilino)-N'-[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]acetohydrazide
CID 18228988
4-[[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]butanoic acid
CID 119352697
N-benzyl-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-phenylacetamide
CID 31927853
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 24551735

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The IUPAC name of N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (CID 31544067) is N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.
What is the SMILES notation for N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The canonical SMILES for N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is CN(C)Cc1ccc(CNC(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)cc1.
What is the InChIKey of N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The InChIKey is SMWWSIDBMPETMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O3/c1-23(2)14-17-9-7-16(8-10-17)13-22-18(26)15-25-19(27)21(24(3)20(25)28)11-5-4-6-12-21/h7-10H,4-6,11-15H2,1-3H3,(H,22,26).
What are the key properties of N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 386.50 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 31544067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).