1-(1-cyclohexyl-2-cyclopropyl-2-oxoethyl)-3-[1-(2,3-dihydro-1H-inden-2-yl)-2-[(2S)-2-formylpyrrolidin-1-yl]-2-oxoethyl]urea

C28H37N3O4 — CID 143360196

IUPAC1-(1-cyclohexyl-2-cyclopropyl-2-oxoethyl)-3-[1-(2,3-dihydro-1H-inden-2-yl)-2-[(2S)-2-formylpyrrolidin-1-yl]-2-oxoethyl]urea
SMILESO=C[C@@H]1CCCN1C(=O)C(NC(=O)NC(C(=O)C1CC1)C1CCCCC1)C1Cc2ccccc2C1
InChIInChI=1S/C28H37N3O4/c32-17-23-11-6-14-31(23)27(34)25(22-15-20-9-4-5-10-21(20)16-22)30-28(35)29-24(26(33)19-12-13-19)18-7-2-1-3-8-18/h4-5,9-10,17-19,22-25H,1-3,6-8,11-16H2,(H2,29,30,35)/t23-,24?,25?/m0/s1
InChIKeyGHUKNDJKCLVWES-KAVZGVEFSA-N
MW479.62 g/mol
LogP3.19
Rot. Bonds8

About 1-(1-cyclohexyl-2-cyclopropyl-2-oxoethyl)-3-[1-(2,3-dihydro-1H-inden-2-yl)-2-[(2S)-2-formylpyrrolidin-1-yl]-2-oxoethyl]urea

1-(1-cyclohexyl-2-cyclopropyl-2-oxoethyl)-3-[1-(2,3-dihydro-1H-inden-2-yl)-2-[(2S)-2-formylpyrrolidin-1-yl]-2-oxoethyl]urea (PubChem CID 143360196) has the molecular formula C28H37N3O4 and a molecular weight of 479.62 g/mol. Its IUPAC name is 1-(1-cyclohexyl-2-cyclopropyl-2-oxoethyl)-3-[1-(2,3-dihydro-1H-inden-2-yl)-2-[(2S)-2-formylpyrrolidin-1-yl]-2-oxoethyl]urea.

Molecular Properties

Compound Name1-(1-cyclohexyl-2-cyclopropyl-2-oxoethyl)-3-[1-(2,3-dihydro-1H-inden-2-yl)-2-[(2S)-2-formylpyrrolidin-1-yl]-2-oxoethyl]urea
PubChem CID143360196
Molecular FormulaC28H37N3O4
Molecular Weight479.62 g/mol
Exact Mass479.28
IUPAC Name1-(1-cyclohexyl-2-cyclopropyl-2-oxoethyl)-3-[1-(2,3-dihydro-1H-inden-2-yl)-2-[(2S)-2-formylpyrrolidin-1-yl]-2-oxoethyl]urea
SMILESO=C[C@@H]1CCCN1C(=O)C(NC(=O)NC(C(=O)C1CC1)C1CCCCC1)C1Cc2ccccc2C1
InChIInChI=1S/C28H37N3O4/c32-17-23-11-6-14-31(23)27(34)25(22-15-20-9-4-5-10-21(20)16-22)30-28(35)29-24(26(33)19-12-13-19)18-7-2-1-3-8-18/h4-5,9-10,17-19,22-25H,1-3,6-8,11-16H2,(H2,29,30,35)/t23-,24?,25?/m0/s1
InChIKeyGHUKNDJKCLVWES-KAVZGVEFSA-N
XLogP3.19
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.62
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-(4-amino-3,4-dioxobutan-2-yl)-1-[2-[(1-cyclohexyl-2-cyclopropyl-2-oxoethyl)carbamoylamino]-2-(2,3-dihydro-1H-inden-2-yl)acetyl]pyrrolidine-2-carboxamide
CID 143102037
propan-2-yl N-[1-cyclohexyl-2-(2-formylpyrrolidin-1-yl)-2-oxoethyl]carbamate
CID 143315084
1-[1-cyclohexyl-2-(2-formylpyrrolidin-1-yl)-2-oxoethyl]-3-methylurea;ethane;N-methylhexan-2-amine;2-oxopropanal
CID 143104242
1-[1-cyclohexyl-2-(2-formylpyrrolidin-1-yl)-2-oxoethyl]-3-[3,3-dimethyl-1-[methyl(methylsulfanyl)amino]butan-2-yl]urea
CID 143104250
N-[(1S)-1-cyclohexyl-2-[(2S)-2-(2,3-dihydro-1H-inden-2-yloxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide
CID 140529615
1-[1-(2-formylpyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-3-(3-methyl-1-oxo-1-phenylbutan-2-yl)urea
CID 143352818
methyl N-[(1S)-1-(2,3-dihydro-1H-inden-2-yl)-2-oxo-2-[(2S)-2-propan-2-ylpyrrolidin-1-yl]ethyl]carbamate
CID 129192718
1-(1-cyclohexyl-2-oxo-2-phenylethyl)-3-[1-(2-formyl-4-propan-2-ylpyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]urea
CID 143361374
(2S)-1-[(2S)-2-(2,3-dihydro-1H-inden-2-yl)-2-[[(2S)-3-methyl-1-(propan-2-ylcarbamoyloxy)butan-2-yl]carbamoylamino]acetyl]pyrrolidine-2-carboxylic acid
CID 70858926
benzyl N-[(2S)-1-[(2S)-2-formylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
CID 88871264
benzyl N-[(2R)-1-[(2S)-2-formylpyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate
CID 131632935
1-(1-cyclohexyl-2-cyclopropyl-2-oxoethyl)-3-[1-[(3S)-2,3-dimethylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]urea
CID 143315152

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexyl-2-cyclopropyl-2-oxoethyl)-3-[1-(2,3-dihydro-1H-inden-2-yl)-2-[(2S)-2-formylpyrrolidin-1-yl]-2-oxoethyl]urea?
The IUPAC name of 1-(1-cyclohexyl-2-cyclopropyl-2-oxoethyl)-3-[1-(2,3-dihydro-1H-inden-2-yl)-2-[(2S)-2-formylpyrrolidin-1-yl]-2-oxoethyl]urea (CID 143360196) is 1-(1-cyclohexyl-2-cyclopropyl-2-oxoethyl)-3-[1-(2,3-dihydro-1H-inden-2-yl)-2-[(2S)-2-formylpyrrolidin-1-yl]-2-oxoethyl]urea.
What is the SMILES notation for 1-(1-cyclohexyl-2-cyclopropyl-2-oxoethyl)-3-[1-(2,3-dihydro-1H-inden-2-yl)-2-[(2S)-2-formylpyrrolidin-1-yl]-2-oxoethyl]urea?
The canonical SMILES for 1-(1-cyclohexyl-2-cyclopropyl-2-oxoethyl)-3-[1-(2,3-dihydro-1H-inden-2-yl)-2-[(2S)-2-formylpyrrolidin-1-yl]-2-oxoethyl]urea is O=C[C@@H]1CCCN1C(=O)C(NC(=O)NC(C(=O)C1CC1)C1CCCCC1)C1Cc2ccccc2C1.
What is the InChIKey of 1-(1-cyclohexyl-2-cyclopropyl-2-oxoethyl)-3-[1-(2,3-dihydro-1H-inden-2-yl)-2-[(2S)-2-formylpyrrolidin-1-yl]-2-oxoethyl]urea?
The InChIKey is GHUKNDJKCLVWES-KAVZGVEFSA-N. The full InChI is InChI=1S/C28H37N3O4/c32-17-23-11-6-14-31(23)27(34)25(22-15-20-9-4-5-10-21(20)16-22)30-28(35)29-24(26(33)19-12-13-19)18-7-2-1-3-8-18/h4-5,9-10,17-19,22-25H,1-3,6-8,11-16H2,(H2,29,30,35)/t23-,24?,25?/m0/s1.
What are the key properties of 1-(1-cyclohexyl-2-cyclopropyl-2-oxoethyl)-3-[1-(2,3-dihydro-1H-inden-2-yl)-2-[(2S)-2-formylpyrrolidin-1-yl]-2-oxoethyl]urea?
1-(1-cyclohexyl-2-cyclopropyl-2-oxoethyl)-3-[1-(2,3-dihydro-1H-inden-2-yl)-2-[(2S)-2-formylpyrrolidin-1-yl]-2-oxoethyl]urea has a molecular weight of 479.62 g/mol, XLogP of 3.19, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexyl-2-cyclopropyl-2-oxoethyl)-3-[1-(2,3-dihydro-1H-inden-2-yl)-2-[(2S)-2-formylpyrrolidin-1-yl]-2-oxoethyl]urea is sourced from PubChem (CID 143360196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).