N-(4-tert-butylcycloheptyl)-3-(1-methylimidazol-2-yl)pyrrolidine-1-carboxamide

C20H34N4O — CID 127982606

IUPACN-(4-tert-butylcycloheptyl)-3-(1-methylimidazol-2-yl)pyrrolidine-1-carboxamide
SMILESCn1ccnc1C1CCN(C(=O)NC2CCCC(C(C)(C)C)CC2)C1
InChIInChI=1S/C20H34N4O/c1-20(2,3)16-6-5-7-17(9-8-16)22-19(25)24-12-10-15(14-24)18-21-11-13-23(18)4/h11,13,15-17H,5-10,12,14H2,1-4H3,(H,22,25)
InChIKeyWDEIIFODHTVZPB-UHFFFAOYSA-N
MW346.52 g/mol
LogP3.91
Rot. Bonds2

About N-(4-tert-butylcycloheptyl)-3-(1-methylimidazol-2-yl)pyrrolidine-1-carboxamide

N-(4-tert-butylcycloheptyl)-3-(1-methylimidazol-2-yl)pyrrolidine-1-carboxamide (PubChem CID 127982606) has the molecular formula C20H34N4O and a molecular weight of 346.52 g/mol. Its IUPAC name is N-(4-tert-butylcycloheptyl)-3-(1-methylimidazol-2-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylcycloheptyl)-3-(1-methylimidazol-2-yl)pyrrolidine-1-carboxamide
PubChem CID127982606
Molecular FormulaC20H34N4O
Molecular Weight346.52 g/mol
Exact Mass346.27
IUPAC NameN-(4-tert-butylcycloheptyl)-3-(1-methylimidazol-2-yl)pyrrolidine-1-carboxamide
SMILESCn1ccnc1C1CCN(C(=O)NC2CCCC(C(C)(C)C)CC2)C1
InChIInChI=1S/C20H34N4O/c1-20(2,3)16-6-5-7-17(9-8-16)22-19(25)24-12-10-15(14-24)18-21-11-13-23(18)4/h11,13,15-17H,5-10,12,14H2,1-4H3,(H,22,25)
InChIKeyWDEIIFODHTVZPB-UHFFFAOYSA-N
XLogP3.91
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-tert-butylcycloheptyl)carbamoyl]piperidine-4-carboxylic acid
CID 122010992
N-[1-(dimethylamino)-1-oxopropan-2-yl]-3-(1-methylimidazol-2-yl)pyrrolidine-1-carboxamide
CID 132984539
3-(1-methylimidazol-2-yl)-N-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide
CID 127665760
N-(3-bromo-4-pyridinyl)-3-(1-methylimidazol-2-yl)pyrrolidine-1-carboxamide
CID 127788298
N-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-(1-methylimidazol-2-yl)pyrrolidine-1-carboxamide
CID 127666931
N-cyclohexyl-4-hydroxy-4-(1-methylimidazol-2-yl)piperidine-1-carboxamide
CID 46958733
2-methyl-1-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-2-morpholin-4-ylpropan-1-one
CID 124872092
2-[[4-[(4-tert-butylcycloheptyl)carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122010997
3-(1-methylimidazol-2-yl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)pyrrolidine-1-carboxamide
CID 136517806
2-[3-(1-methylimidazol-2-yl)pyrrolidin-1-yl]-2-oxo-N-(1-phenylimidazol-2-yl)acetamide
CID 166236817
propan-2-yl 4-(1-methylimidazol-2-yl)piperidine-1-carboxylate
CID 72932190
3-(1-methylimidazol-2-yl)-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-1-carboxamide
CID 138994102

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylcycloheptyl)-3-(1-methylimidazol-2-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(4-tert-butylcycloheptyl)-3-(1-methylimidazol-2-yl)pyrrolidine-1-carboxamide (CID 127982606) is N-(4-tert-butylcycloheptyl)-3-(1-methylimidazol-2-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(4-tert-butylcycloheptyl)-3-(1-methylimidazol-2-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(4-tert-butylcycloheptyl)-3-(1-methylimidazol-2-yl)pyrrolidine-1-carboxamide is Cn1ccnc1C1CCN(C(=O)NC2CCCC(C(C)(C)C)CC2)C1.
What is the InChIKey of N-(4-tert-butylcycloheptyl)-3-(1-methylimidazol-2-yl)pyrrolidine-1-carboxamide?
The InChIKey is WDEIIFODHTVZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O/c1-20(2,3)16-6-5-7-17(9-8-16)22-19(25)24-12-10-15(14-24)18-21-11-13-23(18)4/h11,13,15-17H,5-10,12,14H2,1-4H3,(H,22,25).
What are the key properties of N-(4-tert-butylcycloheptyl)-3-(1-methylimidazol-2-yl)pyrrolidine-1-carboxamide?
N-(4-tert-butylcycloheptyl)-3-(1-methylimidazol-2-yl)pyrrolidine-1-carboxamide has a molecular weight of 346.52 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylcycloheptyl)-3-(1-methylimidazol-2-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 127982606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).