N-[2-[(4S,5R)-3,4-dimethyl-2-oxo-5-phenylimidazolidin-1-yl]-2-oxoethyl]-N-formylformamide

C15H17N3O4 — CID 101112759

IUPACN-[2-[(4S,5R)-3,4-dimethyl-2-oxo-5-phenylimidazolidin-1-yl]-2-oxoethyl]-N-formylformamide
SMILESC[C@H]1[C@@H](c2ccccc2)N(C(=O)CN(C=O)C=O)C(=O)N1C
InChIInChI=1S/C15H17N3O4/c1-11-14(12-6-4-3-5-7-12)18(15(22)16(11)2)13(21)8-17(9-19)10-20/h3-7,9-11,14H,8H2,1-2H3/t11-,14-/m0/s1
InChIKeyDKGIFTQJQBXEFK-FZMZJTMJSA-N
MW303.32 g/mol
LogP0.62
Rot. Bonds5

About N-[2-[(4S,5R)-3,4-dimethyl-2-oxo-5-phenylimidazolidin-1-yl]-2-oxoethyl]-N-formylformamide

N-[2-[(4S,5R)-3,4-dimethyl-2-oxo-5-phenylimidazolidin-1-yl]-2-oxoethyl]-N-formylformamide (PubChem CID 101112759) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is N-[2-[(4S,5R)-3,4-dimethyl-2-oxo-5-phenylimidazolidin-1-yl]-2-oxoethyl]-N-formylformamide.

Molecular Properties

Compound NameN-[2-[(4S,5R)-3,4-dimethyl-2-oxo-5-phenylimidazolidin-1-yl]-2-oxoethyl]-N-formylformamide
PubChem CID101112759
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC NameN-[2-[(4S,5R)-3,4-dimethyl-2-oxo-5-phenylimidazolidin-1-yl]-2-oxoethyl]-N-formylformamide
SMILESC[C@H]1[C@@H](c2ccccc2)N(C(=O)CN(C=O)C=O)C(=O)N1C
InChIInChI=1S/C15H17N3O4/c1-11-14(12-6-4-3-5-7-12)18(15(22)16(11)2)13(21)8-17(9-19)10-20/h3-7,9-11,14H,8H2,1-2H3/t11-,14-/m0/s1
InChIKeyDKGIFTQJQBXEFK-FZMZJTMJSA-N
XLogP0.62
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2,2-dimethylpropanoyl)-3,4-dimethyl-5-phenylimidazolidin-2-one
CID 59519611
(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)-1,5-dimethyl-3-[(E)-4-methylpent-2-enoyl]-4-phenylimidazolidin-2-one
CID 11087392
[[(4S,5R)-3,4-dimethyl-2-oxo-5-phenylimidazolidin-1-yl]-phenylmethylidene]chromium
CID 10961201
(4R,5S)-1,4-dimethyl-5-phenyl-3-propanoylimidazolidin-2-one
CID 59890448
(4R,5S)-1,5-dimethyl-3-[(2S)-2-methylpentanoyl]-4-phenylimidazolidin-2-one
CID 11098197
(4R,5R)-1-methyl-4,5-diphenyl-3-propanoylimidazolidin-2-one
CID 14905101
(4S,5R)-1-buta-2,3-dien-2-yl-3,4-dimethyl-5-phenylimidazolidin-2-one
CID 12061801
(4R,5S)-1,5-dimethyl-3-[3-(4-methylsulfonylphenyl)-3-phenylpropanoyl]-4-phenylimidazolidin-2-one
CID 69265232
(4S,5R)-1-[(2S)-2-amino-5-methylhex-4-enoyl]-3,4-dimethyl-5-phenylimidazolidin-2-one
CID 10686826
(4S,5R)-1-[(2S,3R)-2-(dibenzylamino)-3-hydroxyhexanoyl]-3,4-dimethyl-5-phenylimidazolidin-2-one
CID 101112774

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4S,5R)-3,4-dimethyl-2-oxo-5-phenylimidazolidin-1-yl]-2-oxoethyl]-N-formylformamide?
The IUPAC name of N-[2-[(4S,5R)-3,4-dimethyl-2-oxo-5-phenylimidazolidin-1-yl]-2-oxoethyl]-N-formylformamide (CID 101112759) is N-[2-[(4S,5R)-3,4-dimethyl-2-oxo-5-phenylimidazolidin-1-yl]-2-oxoethyl]-N-formylformamide.
What is the SMILES notation for N-[2-[(4S,5R)-3,4-dimethyl-2-oxo-5-phenylimidazolidin-1-yl]-2-oxoethyl]-N-formylformamide?
The canonical SMILES for N-[2-[(4S,5R)-3,4-dimethyl-2-oxo-5-phenylimidazolidin-1-yl]-2-oxoethyl]-N-formylformamide is C[C@H]1[C@@H](c2ccccc2)N(C(=O)CN(C=O)C=O)C(=O)N1C.
What is the InChIKey of N-[2-[(4S,5R)-3,4-dimethyl-2-oxo-5-phenylimidazolidin-1-yl]-2-oxoethyl]-N-formylformamide?
The InChIKey is DKGIFTQJQBXEFK-FZMZJTMJSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-11-14(12-6-4-3-5-7-12)18(15(22)16(11)2)13(21)8-17(9-19)10-20/h3-7,9-11,14H,8H2,1-2H3/t11-,14-/m0/s1.
What are the key properties of N-[2-[(4S,5R)-3,4-dimethyl-2-oxo-5-phenylimidazolidin-1-yl]-2-oxoethyl]-N-formylformamide?
N-[2-[(4S,5R)-3,4-dimethyl-2-oxo-5-phenylimidazolidin-1-yl]-2-oxoethyl]-N-formylformamide has a molecular weight of 303.32 g/mol, XLogP of 0.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4S,5R)-3,4-dimethyl-2-oxo-5-phenylimidazolidin-1-yl]-2-oxoethyl]-N-formylformamide is sourced from PubChem (CID 101112759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).