N-[(1S,2R)-2-benzylcyclohexyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide

C20H26N2O3 — CID 95298751

IUPACN-[(1S,2R)-2-benzylcyclohexyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
SMILESO=C(CCN1C(=O)CCC1=O)N[C@H]1CCCC[C@@H]1Cc1ccccc1
InChIInChI=1S/C20H26N2O3/c23-18(12-13-22-19(24)10-11-20(22)25)21-17-9-5-4-8-16(17)14-15-6-2-1-3-7-15/h1-3,6-7,16-17H,4-5,8-14H2,(H,21,23)/t16-,17+/m1/s1
InChIKeyVSOKIZFCNJUTBB-SJORKVTESA-N
MW342.44 g/mol
LogP2.44
Rot. Bonds6

About N-[(1S,2R)-2-benzylcyclohexyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide

N-[(1S,2R)-2-benzylcyclohexyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide (PubChem CID 95298751) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[(1S,2R)-2-benzylcyclohexyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-benzylcyclohexyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
PubChem CID95298751
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC NameN-[(1S,2R)-2-benzylcyclohexyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
SMILESO=C(CCN1C(=O)CCC1=O)N[C@H]1CCCC[C@@H]1Cc1ccccc1
InChIInChI=1S/C20H26N2O3/c23-18(12-13-22-19(24)10-11-20(22)25)21-17-9-5-4-8-16(17)14-15-6-2-1-3-7-15/h1-3,6-7,16-17H,4-5,8-14H2,(H,21,23)/t16-,17+/m1/s1
InChIKeyVSOKIZFCNJUTBB-SJORKVTESA-N
XLogP2.44
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1S,2R)-2-tert-butylcyclohexyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 95600891
3-amino-N-(2-benzylcyclohexyl)butanamide
CID 119773392
4-amino-N-(2-benzylcyclopentyl)pentanamide;hydrochloride
CID 120563001
N-(2-benzylcyclohexyl)-2,2-difluoroacetamide
CID 167792579
N-cyclopropyl-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 60667695
N-[(1R,2R)-2-(furan-2-ylmethyl)cyclohexyl]-3-phenylpropanamide
CID 40505929
2-phenyl-N-[(1S,2S)-2-[(2-phenylacetyl)amino]cyclohexyl]acetamide
CID 1011315
N-[(1S,2R)-2-benzylcyclohexyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 95310118
N'-[(1S,2S)-2-benzylcyclohexyl]acetohydrazide
CID 125464130
(2R)-N-[(1R,2R)-2-benzylcyclohexyl]-2-methylsulfonylpropanamide
CID 96532946
3-(1,3-dioxoisoindol-2-yl)-N-[(1S,2S)-2-methylcyclohexyl]propanamide
CID 729676
N-(2-methylpiperidin-3-yl)-3-(2-oxo-3,4-dihydroquinolin-1-yl)propanamide
CID 120575805

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-benzylcyclohexyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide?
The IUPAC name of N-[(1S,2R)-2-benzylcyclohexyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide (CID 95298751) is N-[(1S,2R)-2-benzylcyclohexyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-[(1S,2R)-2-benzylcyclohexyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide?
The canonical SMILES for N-[(1S,2R)-2-benzylcyclohexyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide is O=C(CCN1C(=O)CCC1=O)N[C@H]1CCCC[C@@H]1Cc1ccccc1.
What is the InChIKey of N-[(1S,2R)-2-benzylcyclohexyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide?
The InChIKey is VSOKIZFCNJUTBB-SJORKVTESA-N. The full InChI is InChI=1S/C20H26N2O3/c23-18(12-13-22-19(24)10-11-20(22)25)21-17-9-5-4-8-16(17)14-15-6-2-1-3-7-15/h1-3,6-7,16-17H,4-5,8-14H2,(H,21,23)/t16-,17+/m1/s1.
What are the key properties of N-[(1S,2R)-2-benzylcyclohexyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide?
N-[(1S,2R)-2-benzylcyclohexyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide has a molecular weight of 342.44 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-benzylcyclohexyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide is sourced from PubChem (CID 95298751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).