N-(3-carbamoyl-4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide

C18H23N5O5 — CID 74234628

IUPACN-(3-carbamoyl-4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide
SMILESCOc1ccc(NC(=O)N2CCC3(CC2)C(=O)N(C)C(=O)N3C)cc1C(N)=O
InChIInChI=1S/C18H23N5O5/c1-21-15(25)18(22(2)17(21)27)6-8-23(9-7-18)16(26)20-11-4-5-13(28-3)12(10-11)14(19)24/h4-5,10H,6-9H2,1-3H3,(H2,19,24)(H,20,26)
InChIKeyDDBQYRGVGNQKSO-UHFFFAOYSA-N
MW389.41 g/mol
LogP0.68
Rot. Bonds3

About N-(3-carbamoyl-4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide

N-(3-carbamoyl-4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide (PubChem CID 74234628) has the molecular formula C18H23N5O5 and a molecular weight of 389.41 g/mol. Its IUPAC name is N-(3-carbamoyl-4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoyl-4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide
PubChem CID74234628
Molecular FormulaC18H23N5O5
Molecular Weight389.41 g/mol
Exact Mass389.17
IUPAC NameN-(3-carbamoyl-4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide
SMILESCOc1ccc(NC(=O)N2CCC3(CC2)C(=O)N(C)C(=O)N3C)cc1C(N)=O
InChIInChI=1S/C18H23N5O5/c1-21-15(25)18(22(2)17(21)27)6-8-23(9-7-18)16(26)20-11-4-5-13(28-3)12(10-11)14(19)24/h4-5,10H,6-9H2,1-3H3,(H2,19,24)(H,20,26)
InChIKeyDDBQYRGVGNQKSO-UHFFFAOYSA-N
XLogP0.68
TPSA125.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[(3-carbamoyl-4-methoxyphenyl)carbamoyl]piperazine-1-carboxylate
CID 74247912
1,3-dimethyl-N-(1-methylbenzimidazol-5-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 118770452
N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 55744262
(3S)-3-hydroxy-N-[4-methoxy-3-(methylcarbamoyl)phenyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxamide
CID 97282135
(3R)-N-(3,4-dimethoxyphenyl)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide
CID 95103649
1-N-(3,4-dimethoxyphenyl)-4-N-[(4-methoxyphenyl)methyl]-4-methylpiperidine-1,4-dicarboxamide
CID 52998923
(3R)-N-(3-fluoro-4-methoxyphenyl)-5-methoxy-1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxamide
CID 95104291
1,3-dimethyl-8-(3-methylbenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 27377653
(5S)-N-(3-chloro-4-methoxyphenyl)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide
CID 95215237
4,4-difluoro-N-[4-methoxy-3-(propanoylamino)phenyl]piperidine-1-carboxamide
CID 118788124
N-(4-methoxy-3-methylphenyl)morpholine-4-carboxamide
CID 47322511
1-[(3-ethoxy-4-methoxyphenyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122076607

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoyl-4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide?
The IUPAC name of N-(3-carbamoyl-4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide (CID 74234628) is N-(3-carbamoyl-4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for N-(3-carbamoyl-4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for N-(3-carbamoyl-4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide is COc1ccc(NC(=O)N2CCC3(CC2)C(=O)N(C)C(=O)N3C)cc1C(N)=O.
What is the InChIKey of N-(3-carbamoyl-4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide?
The InChIKey is DDBQYRGVGNQKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O5/c1-21-15(25)18(22(2)17(21)27)6-8-23(9-7-18)16(26)20-11-4-5-13(28-3)12(10-11)14(19)24/h4-5,10H,6-9H2,1-3H3,(H2,19,24)(H,20,26).
What are the key properties of N-(3-carbamoyl-4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide?
N-(3-carbamoyl-4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide has a molecular weight of 389.41 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoyl-4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 74234628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).