(2S)-N-(cyclohexylmethyl)-2-[(4S)-4-(3,4-dimethoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide

C22H31N3O5 — CID 41143654

IUPAC(2S)-N-(cyclohexylmethyl)-2-[(4S)-4-(3,4-dimethoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide
SMILESCOc1ccc([C@]2(C)NC(=O)N([C@@H](C)C(=O)NCC3CCCCC3)C2=O)cc1OC
InChIInChI=1S/C22H31N3O5/c1-14(19(26)23-13-15-8-6-5-7-9-15)25-20(27)22(2,24-21(25)28)16-10-11-17(29-3)18(12-16)30-4/h10-12,14-15H,5-9,13H2,1-4H3,(H,23,26)(H,24,28)/t14-,22-/m0/s1
InChIKeyMGCCGEARJDWTSP-FPTDNZKUSA-N
MW417.51 g/mol
LogP2.56
Rot. Bonds7

About (2S)-N-(cyclohexylmethyl)-2-[(4S)-4-(3,4-dimethoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide

(2S)-N-(cyclohexylmethyl)-2-[(4S)-4-(3,4-dimethoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide (PubChem CID 41143654) has the molecular formula C22H31N3O5 and a molecular weight of 417.51 g/mol. Its IUPAC name is (2S)-N-(cyclohexylmethyl)-2-[(4S)-4-(3,4-dimethoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-(cyclohexylmethyl)-2-[(4S)-4-(3,4-dimethoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide
PubChem CID41143654
Molecular FormulaC22H31N3O5
Molecular Weight417.51 g/mol
Exact Mass417.23
IUPAC Name(2S)-N-(cyclohexylmethyl)-2-[(4S)-4-(3,4-dimethoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide
SMILESCOc1ccc([C@]2(C)NC(=O)N([C@@H](C)C(=O)NCC3CCCCC3)C2=O)cc1OC
InChIInChI=1S/C22H31N3O5/c1-14(19(26)23-13-15-8-6-5-7-9-15)25-20(27)22(2,24-21(25)28)16-10-11-17(29-3)18(12-16)30-4/h10-12,14-15H,5-9,13H2,1-4H3,(H,23,26)(H,24,28)/t14-,22-/m0/s1
InChIKeyMGCCGEARJDWTSP-FPTDNZKUSA-N
XLogP2.56
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 52.56
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

(2S)-N-cyclohexyl-2-[(4S)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide
CID 9449775
N-(cyclopentylmethyl)-2-(3,4-dimethoxyphenyl)-3-methylbutanamide
CID 110307535
(2S)-N-cyclopropyl-2-[(4R)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide
CID 9451598
(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
(2R)-2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[(3,4-dimethoxyphenyl)methyl]propanamide
CID 11944398
N-(cyclohexylmethyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)propanamide
CID 42989877
5-(3,4-dimethoxyphenyl)-3-ethyl-5-methylimidazolidine-2,4-dione
CID 42915163
(2S)-2-[(4S)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclopropylpropanamide
CID 41088027
N-(cyclohexylmethyl)-2-[(4R)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
CID 40706070
(2R)-N-hydroxy-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]propanamide
CID 54441297
3-(2-aminoethyl)-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 82147846
N-(cyclohexylmethyl)-2-(3-cyclopropyl-6-oxopyridazin-1-yl)propanamide
CID 122279060

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(cyclohexylmethyl)-2-[(4S)-4-(3,4-dimethoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide?
The IUPAC name of (2S)-N-(cyclohexylmethyl)-2-[(4S)-4-(3,4-dimethoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide (CID 41143654) is (2S)-N-(cyclohexylmethyl)-2-[(4S)-4-(3,4-dimethoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-(cyclohexylmethyl)-2-[(4S)-4-(3,4-dimethoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide?
The canonical SMILES for (2S)-N-(cyclohexylmethyl)-2-[(4S)-4-(3,4-dimethoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide is COc1ccc([C@]2(C)NC(=O)N([C@@H](C)C(=O)NCC3CCCCC3)C2=O)cc1OC.
What is the InChIKey of (2S)-N-(cyclohexylmethyl)-2-[(4S)-4-(3,4-dimethoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide?
The InChIKey is MGCCGEARJDWTSP-FPTDNZKUSA-N. The full InChI is InChI=1S/C22H31N3O5/c1-14(19(26)23-13-15-8-6-5-7-9-15)25-20(27)22(2,24-21(25)28)16-10-11-17(29-3)18(12-16)30-4/h10-12,14-15H,5-9,13H2,1-4H3,(H,23,26)(H,24,28)/t14-,22-/m0/s1.
What are the key properties of (2S)-N-(cyclohexylmethyl)-2-[(4S)-4-(3,4-dimethoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide?
(2S)-N-(cyclohexylmethyl)-2-[(4S)-4-(3,4-dimethoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide has a molecular weight of 417.51 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(cyclohexylmethyl)-2-[(4S)-4-(3,4-dimethoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide is sourced from PubChem (CID 41143654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).