N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide

C21H30N4O3 — CID 9132494

IUPACN-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide
SMILESCC1CCC2(CC1)NC(=O)N(NC(=O)CN[C@@H](c1ccccc1)C(C)C)C2=O
InChIInChI=1S/C21H30N4O3/c1-14(2)18(16-7-5-4-6-8-16)22-13-17(26)24-25-19(27)21(23-20(25)28)11-9-15(3)10-12-21/h4-8,14-15,18,22H,9-13H2,1-3H3,(H,23,28)(H,24,26)/t15?,18-,21?/m1/s1
InChIKeyNSGMULKVFHNBGK-BPVAQJAMSA-N
MW386.50 g/mol
LogP2.51
Rot. Bonds6

About N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide

N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide (PubChem CID 9132494) has the molecular formula C21H30N4O3 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide.

Molecular Properties

Compound NameN-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide
PubChem CID9132494
Molecular FormulaC21H30N4O3
Molecular Weight386.50 g/mol
Exact Mass386.23
IUPAC NameN-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide
SMILESCC1CCC2(CC1)NC(=O)N(NC(=O)CN[C@@H](c1ccccc1)C(C)C)C2=O
InChIInChI=1S/C21H30N4O3/c1-14(2)18(16-7-5-4-6-8-16)22-13-17(26)24-25-19(27)21(23-20(25)28)11-9-15(3)10-12-21/h4-8,14-15,18,22H,9-13H2,1-3H3,(H,23,28)(H,24,26)/t15?,18-,21?/m1/s1
InChIKeyNSGMULKVFHNBGK-BPVAQJAMSA-N
XLogP2.51
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[[1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide
CID 51227850
N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[methyl-[(1R)-1-phenylethyl]amino]acetamide
CID 26652596
benzhydryl-[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]azanium
CID 8596083
N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[1-(4-methylsulfonylphenyl)ethylamino]acetamide
CID 45355784
N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]acetamide
CID 45281463
N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(4-phenylphenyl)acetamide
CID 27802749
(2S)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-phenylsulfanylpropanamide
CID 40810140
[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] (2S)-2-(benzenesulfonamido)propanoate
CID 55928321
[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-(benzenesulfonamido)propanoate
CID 55326752
2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1R)-1-phenylethyl]acetamide
CID 2092207
[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9132337
N-[3-[1-[methyl-[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]amino]ethyl]phenyl]benzamide
CID 46508658

Frequently Asked Questions

What is the IUPAC name of N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide?
The IUPAC name of N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide (CID 9132494) is N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide.
What is the SMILES notation for N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide?
The canonical SMILES for N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide is CC1CCC2(CC1)NC(=O)N(NC(=O)CN[C@@H](c1ccccc1)C(C)C)C2=O.
What is the InChIKey of N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide?
The InChIKey is NSGMULKVFHNBGK-BPVAQJAMSA-N. The full InChI is InChI=1S/C21H30N4O3/c1-14(2)18(16-7-5-4-6-8-16)22-13-17(26)24-25-19(27)21(23-20(25)28)11-9-15(3)10-12-21/h4-8,14-15,18,22H,9-13H2,1-3H3,(H,23,28)(H,24,26)/t15?,18-,21?/m1/s1.
What are the key properties of N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide?
N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide has a molecular weight of 386.50 g/mol, XLogP of 2.51, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide is sourced from PubChem (CID 9132494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).