N-(2,3-dimethyl-6-nitrophenyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

C19H24N4O5 — CID 7169987

IUPACN-(2,3-dimethyl-6-nitrophenyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCc1ccc([N+](=O)[O-])c(NC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)c1C
InChIInChI=1S/C19H24N4O5/c1-11-6-8-19(9-7-11)17(25)22(18(26)21-19)10-15(24)20-16-13(3)12(2)4-5-14(16)23(27)28/h4-5,11H,6-10H2,1-3H3,(H,20,24)(H,21,26)
InChIKeyDHDGAVLVZHWNHZ-UHFFFAOYSA-N
MW388.42 g/mol
LogP2.65
Rot. Bonds4

About N-(2,3-dimethyl-6-nitrophenyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

N-(2,3-dimethyl-6-nitrophenyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 7169987) has the molecular formula C19H24N4O5 and a molecular weight of 388.42 g/mol. Its IUPAC name is N-(2,3-dimethyl-6-nitrophenyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

Compound NameN-(2,3-dimethyl-6-nitrophenyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
PubChem CID7169987
Molecular FormulaC19H24N4O5
Molecular Weight388.42 g/mol
Exact Mass388.17
IUPAC NameN-(2,3-dimethyl-6-nitrophenyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCc1ccc([N+](=O)[O-])c(NC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)c1C
InChIInChI=1S/C19H24N4O5/c1-11-6-8-19(9-7-11)17(25)22(18(26)21-19)10-15(24)20-16-13(3)12(2)4-5-14(16)23(27)28/h4-5,11H,6-10H2,1-3H3,(H,20,24)(H,21,26)
InChIKeyDHDGAVLVZHWNHZ-UHFFFAOYSA-N
XLogP2.65
TPSA121.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4,5-dimethyl-2-nitrophenyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7240741
2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 2085218
N-(2,3-dimethyl-6-nitrophenyl)-2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 7179163
8-methyl-3-[2-(4-methyl-3-nitrophenyl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7170025
2-[(3aS,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(2,3-dimethyl-6-nitrophenyl)acetamide
CID 7951960
N-(2,6-dimethylphenyl)-2-[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]acetamide
CID 7240740
2-[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 7240709
methyl N-[4-[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]phenyl]carbamate
CID 55805969
2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 51158648
2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2,3-dimethyl-6-nitrophenyl)acetamide
CID 7738270
N-(2-chlorophenyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 3919530
2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-(2,3-dimethyl-6-nitrophenyl)acetamide
CID 11931486

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethyl-6-nitrophenyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The IUPAC name of N-(2,3-dimethyl-6-nitrophenyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (CID 7169987) is N-(2,3-dimethyl-6-nitrophenyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.
What is the SMILES notation for N-(2,3-dimethyl-6-nitrophenyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The canonical SMILES for N-(2,3-dimethyl-6-nitrophenyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is Cc1ccc([N+](=O)[O-])c(NC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)c1C.
What is the InChIKey of N-(2,3-dimethyl-6-nitrophenyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The InChIKey is DHDGAVLVZHWNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O5/c1-11-6-8-19(9-7-11)17(25)22(18(26)21-19)10-15(24)20-16-13(3)12(2)4-5-14(16)23(27)28/h4-5,11H,6-10H2,1-3H3,(H,20,24)(H,21,26).
What are the key properties of N-(2,3-dimethyl-6-nitrophenyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
N-(2,3-dimethyl-6-nitrophenyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 388.42 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethyl-6-nitrophenyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 7169987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).