(2S)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(4-methylphenoxy)propanamide

C19H25N3O4 — CID 27802506

IUPAC(2S)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(4-methylphenoxy)propanamide
SMILESCc1ccc(O[C@@H](C)C(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)cc1
InChIInChI=1S/C19H25N3O4/c1-12-4-6-15(7-5-12)26-14(3)16(23)21-22-17(24)19(20-18(22)25)10-8-13(2)9-11-19/h4-7,13-14H,8-11H2,1-3H3,(H,20,25)(H,21,23)/t13?,14-,19?/m0/s1
InChIKeySEEMVEHDHMJKQR-BIWSTMPVSA-N
MW359.43 g/mol
LogP2.29
Rot. Bonds4

About (2S)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(4-methylphenoxy)propanamide

(2S)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(4-methylphenoxy)propanamide (PubChem CID 27802506) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is (2S)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(4-methylphenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(4-methylphenoxy)propanamide
PubChem CID27802506
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Name(2S)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(4-methylphenoxy)propanamide
SMILESCc1ccc(O[C@@H](C)C(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)cc1
InChIInChI=1S/C19H25N3O4/c1-12-4-6-15(7-5-12)26-14(3)16(23)21-22-17(24)19(20-18(22)25)10-8-13(2)9-11-19/h4-7,13-14H,8-11H2,1-3H3,(H,20,25)(H,21,23)/t13?,14-,19?/m0/s1
InChIKeySEEMVEHDHMJKQR-BIWSTMPVSA-N
XLogP2.29
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-[(1S,2S,6R,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]-2-(4-methylphenoxy)propanamide
CID 98332438
N-(4-methylcyclohexyl)-2-(4-methylphenoxy)propanamide
CID 42889091
(2S)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[[(2R)-oxan-2-yl]methoxy]propanamide
CID 52535708
(2S)-N-[(3aR,4S,7S,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-yl]-2-(4-methylphenoxy)propanamide
CID 98230181
2-(4-methylphenoxy)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 3876890
1-(4-methoxyphenyl)-3-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)thiourea
CID 8683796
N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)naphthalene-2-carboxamide
CID 9324450
N'-[2-(4-methylphenoxy)propanoyl]cyclopropanecarbohydrazide
CID 51165989
N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 27802433
(2S)-2-(4-cyanophenoxy)-N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide
CID 41097159
(2R)-N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-(3-methylphenoxy)propanamide
CID 9291421
[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 8011692

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(4-methylphenoxy)propanamide?
The IUPAC name of (2S)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(4-methylphenoxy)propanamide (CID 27802506) is (2S)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(4-methylphenoxy)propanamide.
What is the SMILES notation for (2S)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(4-methylphenoxy)propanamide?
The canonical SMILES for (2S)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(4-methylphenoxy)propanamide is Cc1ccc(O[C@@H](C)C(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)cc1.
What is the InChIKey of (2S)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(4-methylphenoxy)propanamide?
The InChIKey is SEEMVEHDHMJKQR-BIWSTMPVSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-12-4-6-15(7-5-12)26-14(3)16(23)21-22-17(24)19(20-18(22)25)10-8-13(2)9-11-19/h4-7,13-14H,8-11H2,1-3H3,(H,20,25)(H,21,23)/t13?,14-,19?/m0/s1.
What are the key properties of (2S)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(4-methylphenoxy)propanamide?
(2S)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(4-methylphenoxy)propanamide has a molecular weight of 359.43 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(4-methylphenoxy)propanamide is sourced from PubChem (CID 27802506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).