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

C20H27N3O4 — CID 24544895

IUPACN-[1-(2-methoxyphenyl)ethyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCOc1ccccc1C(C)NC(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O
InChIInChI=1S/C20H27N3O4/c1-14(15-9-5-6-10-16(15)27-3)21-17(24)13-23-18(25)20(22(2)19(23)26)11-7-4-8-12-20/h5-6,9-10,14H,4,7-8,11-13H2,1-3H3,(H,21,24)
InChIKeyVNSVNTHGXJROLA-UHFFFAOYSA-N
MW373.45 g/mol
LogP2.47
Rot. Bonds5

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

N-[1-(2-methoxyphenyl)ethyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 24544895) has the molecular formula C20H27N3O4 and a molecular weight of 373.45 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)ethyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)ethyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
PubChem CID24544895
Molecular FormulaC20H27N3O4
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC NameN-[1-(2-methoxyphenyl)ethyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCOc1ccccc1C(C)NC(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O
InChIInChI=1S/C20H27N3O4/c1-14(15-9-5-6-10-16(15)27-3)21-17(24)13-23-18(25)20(22(2)19(23)26)11-7-4-8-12-20/h5-6,9-10,14H,4,7-8,11-13H2,1-3H3,(H,21,24)
InChIKeyVNSVNTHGXJROLA-UHFFFAOYSA-N
XLogP2.47
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 52.47
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

N-[1-(2-bromophenyl)ethyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 24544712
N-[1-(4-fluorophenyl)ethyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 42990491
2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1S)-1-pyridin-2-ylethyl]acetamide
CID 40713780
2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 55366827
2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-pyridin-2-ylacetamide
CID 51251681
(2S)-4-methyl-2-[[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]pentanoic acid
CID 119361468
2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-phenylphenyl)acetamide
CID 7850067
N-(3-acetamidophenyl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7850065
2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 36714045
2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 24544890
N-(2-ethyl-6-methylphenyl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7677753
N-[(2-fluorophenyl)carbamoyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7850118

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)ethyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The IUPAC name of N-[1-(2-methoxyphenyl)ethyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (CID 24544895) is N-[1-(2-methoxyphenyl)ethyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.
What is the SMILES notation for N-[1-(2-methoxyphenyl)ethyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The canonical SMILES for N-[1-(2-methoxyphenyl)ethyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is COc1ccccc1C(C)NC(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O.
What is the InChIKey of N-[1-(2-methoxyphenyl)ethyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The InChIKey is VNSVNTHGXJROLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4/c1-14(15-9-5-6-10-16(15)27-3)21-17(24)13-23-18(25)20(22(2)19(23)26)11-7-4-8-12-20/h5-6,9-10,14H,4,7-8,11-13H2,1-3H3,(H,21,24).
What are the key properties of N-[1-(2-methoxyphenyl)ethyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
N-[1-(2-methoxyphenyl)ethyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 373.45 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyphenyl)ethyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 24544895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).