(2S)-N-cyclohexyl-2-[(4S)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide

C22H29N3O3 — CID 9449775

IUPAC(2S)-N-cyclohexyl-2-[(4S)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide
SMILESC[C@@H](C(=O)NC1CCCCC1)N1C(=O)N[C@@](C)(c2ccc3c(c2)CCC3)C1=O
InChIInChI=1S/C22H29N3O3/c1-14(19(26)23-18-9-4-3-5-10-18)25-20(27)22(2,24-21(25)28)17-12-11-15-7-6-8-16(15)13-17/h11-14,18H,3-10H2,1-2H3,(H,23,26)(H,24,28)/t14-,22-/m0/s1
InChIKeyXKAYZAPDDOCBIR-FPTDNZKUSA-N
MW383.49 g/mol
LogP2.78
Rot. Bonds4

About (2S)-N-cyclohexyl-2-[(4S)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide

(2S)-N-cyclohexyl-2-[(4S)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide (PubChem CID 9449775) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is (2S)-N-cyclohexyl-2-[(4S)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-cyclohexyl-2-[(4S)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide
PubChem CID9449775
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name(2S)-N-cyclohexyl-2-[(4S)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide
SMILESC[C@@H](C(=O)NC1CCCCC1)N1C(=O)N[C@@](C)(c2ccc3c(c2)CCC3)C1=O
InChIInChI=1S/C22H29N3O3/c1-14(19(26)23-18-9-4-3-5-10-18)25-20(27)22(2,24-21(25)28)17-12-11-15-7-6-8-16(15)13-17/h11-14,18H,3-10H2,1-2H3,(H,23,26)(H,24,28)/t14-,22-/m0/s1
InChIKeyXKAYZAPDDOCBIR-FPTDNZKUSA-N
XLogP2.78
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-cyclopentyl-2-[(4S)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide
CID 9449768
(2S)-2-[(4S)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclopropylpropanamide
CID 41088027
(2S)-N-cyclopropyl-2-[(4R)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide
CID 9451598
(2S)-N-cyclopropyl-2-[(4S)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide
CID 9451600
3-(1-aminopropan-2-yl)-5-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazolidine-2,4-dione
CID 82148372
(2S)-N-(cyclohexylmethyl)-2-[(4S)-4-(3,4-dimethoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide
CID 41143654
(2R)-N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide
CID 51497908
N-[2-(cyclopropylamino)-2-oxoethyl]-2-[(4R)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
CID 8602029
(2S)-N-cyclopentyl-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)propanamide
CID 92886787
3-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-oxoethyl]-5-(2,3-dihydro-1H-inden-5-yl)-5-methylimidazolidine-2,4-dione
CID 55401238
(2R)-N-hydroxy-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]propanamide
CID 54441297
N-cyclohexyl-2-[(4R)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7484104

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclohexyl-2-[(4S)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide?
The IUPAC name of (2S)-N-cyclohexyl-2-[(4S)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide (CID 9449775) is (2S)-N-cyclohexyl-2-[(4S)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-cyclohexyl-2-[(4S)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide?
The canonical SMILES for (2S)-N-cyclohexyl-2-[(4S)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide is C[C@@H](C(=O)NC1CCCCC1)N1C(=O)N[C@@](C)(c2ccc3c(c2)CCC3)C1=O.
What is the InChIKey of (2S)-N-cyclohexyl-2-[(4S)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide?
The InChIKey is XKAYZAPDDOCBIR-FPTDNZKUSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-14(19(26)23-18-9-4-3-5-10-18)25-20(27)22(2,24-21(25)28)17-12-11-15-7-6-8-16(15)13-17/h11-14,18H,3-10H2,1-2H3,(H,23,26)(H,24,28)/t14-,22-/m0/s1.
What are the key properties of (2S)-N-cyclohexyl-2-[(4S)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide?
(2S)-N-cyclohexyl-2-[(4S)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide has a molecular weight of 383.49 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclohexyl-2-[(4S)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide is sourced from PubChem (CID 9449775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).