(4S,5R)-1-[(2S)-2-amino-5-methylhex-4-enoyl]-3,4-dimethyl-5-phenylimidazolidin-2-one

C18H25N3O2 — CID 10686826

IUPAC(4S,5R)-1-[(2S)-2-amino-5-methylhex-4-enoyl]-3,4-dimethyl-5-phenylimidazolidin-2-one
SMILESCC(C)=CC[C@H](N)C(=O)N1C(=O)N(C)[C@@H](C)[C@H]1c1ccccc1
InChIInChI=1S/C18H25N3O2/c1-12(2)10-11-15(19)17(22)21-16(13(3)20(4)18(21)23)14-8-6-5-7-9-14/h5-10,13,15-16H,11,19H2,1-4H3/t13-,15-,16-/m0/s1
InChIKeyYLULUUVPSKWRII-BPUTZDHNSA-N
MW315.42 g/mol
LogP2.69
Rot. Bonds4

About (4S,5R)-1-[(2S)-2-amino-5-methylhex-4-enoyl]-3,4-dimethyl-5-phenylimidazolidin-2-one

(4S,5R)-1-[(2S)-2-amino-5-methylhex-4-enoyl]-3,4-dimethyl-5-phenylimidazolidin-2-one (PubChem CID 10686826) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is (4S,5R)-1-[(2S)-2-amino-5-methylhex-4-enoyl]-3,4-dimethyl-5-phenylimidazolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-1-[(2S)-2-amino-5-methylhex-4-enoyl]-3,4-dimethyl-5-phenylimidazolidin-2-one
PubChem CID10686826
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name(4S,5R)-1-[(2S)-2-amino-5-methylhex-4-enoyl]-3,4-dimethyl-5-phenylimidazolidin-2-one
SMILESCC(C)=CC[C@H](N)C(=O)N1C(=O)N(C)[C@@H](C)[C@H]1c1ccccc1
InChIInChI=1S/C18H25N3O2/c1-12(2)10-11-15(19)17(22)21-16(13(3)20(4)18(21)23)14-8-6-5-7-9-14/h5-10,13,15-16H,11,19H2,1-4H3/t13-,15-,16-/m0/s1
InChIKeyYLULUUVPSKWRII-BPUTZDHNSA-N
XLogP2.69
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4S,5R)-1-(2,2-dibromoacetyl)-3,4-dimethyl-5-phenylimidazolidin-2-one
CID 11047406
(4S,5R)-1-(2-bromopropanoyl)-3,4-dimethyl-5-phenylimidazolidin-2-one
CID 11110159
(4S,5R)-1-[(2S)-2-amino-3-(1,3-benzodioxol-5-yl)propanoyl]-3,4-dimethyl-5-phenylimidazolidin-2-one
CID 10571887
(4R,5S)-1,5-dimethyl-3-[(2S)-2-methylpentanoyl]-4-phenylimidazolidin-2-one
CID 11098197
(4S,5R)-1-[(2S)-2-bromo-4-phenylbutanoyl]-3,4-dimethyl-5-phenylimidazolidin-2-one
CID 139179430
(4S,5R)-1-[(2R)-2-(benzylamino)butanoyl]-3,4-dimethyl-5-phenylimidazolidin-2-one
CID 11024926
(4S,5R)-1,5-dimethyl-3-[(E)-4-methylpent-2-enoyl]-4-phenylimidazolidin-2-one
CID 11087392
N-[2-[(4S,5R)-3,4-dimethyl-2-oxo-5-phenylimidazolidin-1-yl]-2-oxoethyl]-N-formylformamide
CID 101112759
1-(2,2-dimethylpropanoyl)-3,4-dimethyl-5-phenylimidazolidin-2-one
CID 59519611
[[(4S,5R)-3,4-dimethyl-2-oxo-5-phenylimidazolidin-1-yl]-phenylmethylidene]chromium
CID 10961201
(4S,5R)-1-buta-2,3-dien-2-yl-3,4-dimethyl-5-phenylimidazolidin-2-one
CID 12061801
ethyl (4S)-4-(benzhydrylideneamino)-5-[(4S,5R)-3,4-dimethyl-2-oxo-5-phenylimidazolidin-1-yl]-2-methyl-5-oxopentanoate
CID 102016203

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-1-[(2S)-2-amino-5-methylhex-4-enoyl]-3,4-dimethyl-5-phenylimidazolidin-2-one?
The IUPAC name of (4S,5R)-1-[(2S)-2-amino-5-methylhex-4-enoyl]-3,4-dimethyl-5-phenylimidazolidin-2-one (CID 10686826) is (4S,5R)-1-[(2S)-2-amino-5-methylhex-4-enoyl]-3,4-dimethyl-5-phenylimidazolidin-2-one.
What is the SMILES notation for (4S,5R)-1-[(2S)-2-amino-5-methylhex-4-enoyl]-3,4-dimethyl-5-phenylimidazolidin-2-one?
The canonical SMILES for (4S,5R)-1-[(2S)-2-amino-5-methylhex-4-enoyl]-3,4-dimethyl-5-phenylimidazolidin-2-one is CC(C)=CC[C@H](N)C(=O)N1C(=O)N(C)[C@@H](C)[C@H]1c1ccccc1.
What is the InChIKey of (4S,5R)-1-[(2S)-2-amino-5-methylhex-4-enoyl]-3,4-dimethyl-5-phenylimidazolidin-2-one?
The InChIKey is YLULUUVPSKWRII-BPUTZDHNSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-12(2)10-11-15(19)17(22)21-16(13(3)20(4)18(21)23)14-8-6-5-7-9-14/h5-10,13,15-16H,11,19H2,1-4H3/t13-,15-,16-/m0/s1.
What are the key properties of (4S,5R)-1-[(2S)-2-amino-5-methylhex-4-enoyl]-3,4-dimethyl-5-phenylimidazolidin-2-one?
(4S,5R)-1-[(2S)-2-amino-5-methylhex-4-enoyl]-3,4-dimethyl-5-phenylimidazolidin-2-one has a molecular weight of 315.42 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-1-[(2S)-2-amino-5-methylhex-4-enoyl]-3,4-dimethyl-5-phenylimidazolidin-2-one is sourced from PubChem (CID 10686826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).