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

C15H17N3O3 — CID 94646397

IUPACN-(2,3-dihydro-1H-inden-2-yl)-2-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methylacetamide
SMILESCN(C(=O)C[C@@H]1NC(=O)NC1=O)C1Cc2ccccc2C1
InChIInChI=1S/C15H17N3O3/c1-18(11-6-9-4-2-3-5-10(9)7-11)13(19)8-12-14(20)17-15(21)16-12/h2-5,11-12H,6-8H2,1H3,(H2,16,17,20,21)/t12-/m0/s1
InChIKeyMJRPCVAJNGQIHA-LBPRGKRZSA-N
MW287.32 g/mol
LogP0.21
Rot. Bonds3

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

N-(2,3-dihydro-1H-inden-2-yl)-2-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methylacetamide (PubChem CID 94646397) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-2-yl)-2-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-2-yl)-2-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methylacetamide
PubChem CID94646397
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC NameN-(2,3-dihydro-1H-inden-2-yl)-2-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methylacetamide
SMILESCN(C(=O)C[C@@H]1NC(=O)NC1=O)C1Cc2ccccc2C1
InChIInChI=1S/C15H17N3O3/c1-18(11-6-9-4-2-3-5-10(9)7-11)13(19)8-12-14(20)17-15(21)16-12/h2-5,11-12H,6-8H2,1H3,(H2,16,17,20,21)/t12-/m0/s1
InChIKeyMJRPCVAJNGQIHA-LBPRGKRZSA-N
XLogP0.21
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.21
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

5-phenacylimidazolidine-2,4-dione
CID 15716927
3-amino-N-(2,3-dihydro-1H-inden-2-yl)-N-methylbutanamide
CID 119746208
5-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)imidazolidine-2,4-dione
CID 132648237
3-amino-N-(2,3-dihydro-1H-inden-2-yl)-N-methylbutanamide;hydrochloride
CID 119746207
N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-3-piperidin-4-ylbutanamide
CID 119746206
N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-4-(methylamino)butanamide
CID 119746184
(5S)-5-[2-(4-methyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 167765151
N-methyl-N-pyrrolidin-3-yl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide;hydrochloride
CID 119553467
2-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]acetamide
CID 95875059
(2R)-N-cyclohexyl-2-(N-[2-[(4R)-2,5-dioxoimidazolidin-4-yl]acetyl]anilino)-2-methylbutanamide
CID 7107392
N-[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide
CID 97135656
N-[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]-3-[(4R)-2,5-dioxoimidazolidin-4-yl]propanamide
CID 97135654

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-2-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methylacetamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-2-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methylacetamide (CID 94646397) is N-(2,3-dihydro-1H-inden-2-yl)-2-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methylacetamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-2-yl)-2-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methylacetamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-2-yl)-2-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methylacetamide is CN(C(=O)C[C@@H]1NC(=O)NC1=O)C1Cc2ccccc2C1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-2-yl)-2-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methylacetamide?
The InChIKey is MJRPCVAJNGQIHA-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-18(11-6-9-4-2-3-5-10(9)7-11)13(19)8-12-14(20)17-15(21)16-12/h2-5,11-12H,6-8H2,1H3,(H2,16,17,20,21)/t12-/m0/s1.
What are the key properties of N-(2,3-dihydro-1H-inden-2-yl)-2-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methylacetamide?
N-(2,3-dihydro-1H-inden-2-yl)-2-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methylacetamide has a molecular weight of 287.32 g/mol, XLogP of 0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-2-yl)-2-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methylacetamide is sourced from PubChem (CID 94646397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).