trans-(1R,3S)-3-N-ethyl-1-N-[2-(1H-imidazol-2-yl)ethyl]-1,2,2-trimethylcyclopentane-1,3-dicarboxamide

C17H28N4O2 — CID 118761460

IUPACtrans-(1R,3S)-3-N-ethyl-1-N-[2-(1H-imidazol-2-yl)ethyl]-1,2,2-trimethylcyclopentane-1,3-dicarboxamide
SMILESCCNC(=O)[C@H]1CC[C@@](C)(C(=O)NCCc2ncc[nH]2)C1(C)C
InChIInChI=1S/C17H28N4O2/c1-5-18-14(22)12-6-8-17(4,16(12,2)3)15(23)21-9-7-13-19-10-11-20-13/h10-12H,5-9H2,1-4H3,(H,18,22)(H,19,20)(H,21,23)/t12-,17+/m1/s1
InChIKeyCRJFRNWCZXWYKG-PXAZEXFGSA-N
MW320.44 g/mol
LogP1.65
Rot. Bonds6

About trans-(1R,3S)-3-N-ethyl-1-N-[2-(1H-imidazol-2-yl)ethyl]-1,2,2-trimethylcyclopentane-1,3-dicarboxamide

trans-(1R,3S)-3-N-ethyl-1-N-[2-(1H-imidazol-2-yl)ethyl]-1,2,2-trimethylcyclopentane-1,3-dicarboxamide (PubChem CID 118761460) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is trans-(1R,3S)-3-N-ethyl-1-N-[2-(1H-imidazol-2-yl)ethyl]-1,2,2-trimethylcyclopentane-1,3-dicarboxamide.

Molecular Properties

Compound Nametrans-(1R,3S)-3-N-ethyl-1-N-[2-(1H-imidazol-2-yl)ethyl]-1,2,2-trimethylcyclopentane-1,3-dicarboxamide
PubChem CID118761460
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Nametrans-(1R,3S)-3-N-ethyl-1-N-[2-(1H-imidazol-2-yl)ethyl]-1,2,2-trimethylcyclopentane-1,3-dicarboxamide
SMILESCCNC(=O)[C@H]1CC[C@@](C)(C(=O)NCCc2ncc[nH]2)C1(C)C
InChIInChI=1S/C17H28N4O2/c1-5-18-14(22)12-6-8-17(4,16(12,2)3)15(23)21-9-7-13-19-10-11-20-13/h10-12H,5-9H2,1-4H3,(H,18,22)(H,19,20)(H,21,23)/t12-,17+/m1/s1
InChIKeyCRJFRNWCZXWYKG-PXAZEXFGSA-N
XLogP1.65
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1H-imidazol-2-yl)ethyl]-2-methylthiolane-2-carboxamide
CID 115702011
trans-(1R,3S)-1-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-N-ethyl-1,2,2-trimethylcyclopentane-1,3-dicarboxamide
CID 50976826
N-[2-(1H-imidazol-2-yl)ethyl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106981293
1-(aminomethyl)-N-[2-(1H-imidazol-2-yl)ethyl]cyclopentane-1-carboxamide
CID 115741048
N-[2-(1H-imidazol-2-yl)ethyl]-3-methyloxolane-2-carboxamide
CID 115735316
ethane;N-[2-(1H-imidazol-2-yl)ethyl]propanamide
CID 143717261
N-[2-(1H-imidazol-2-yl)ethyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
CID 122560463
N-[2-(1H-imidazol-2-yl)ethyl]oxane-2-carboxamide
CID 115747744
4-butyl-N-[2-(1H-imidazol-2-yl)ethyl]cyclohexane-1-carboxamide
CID 115649554
trans-(1S,3R)-3-N-ethyl-1-N-(2-hydroxy-2-prop-2-enylpent-4-enyl)-1,2,2-trimethylcyclopentane-1,3-dicarboxamide
CID 133111367
2-[2-[[(1R,3S)-1,2,2-trimethyl-3-(methylcarbamoyl)cyclopentanecarbonyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 118779145
1-ethyl-N-[2-(1H-imidazol-2-yl)ethyl]piperidine-3-carboxamide
CID 119073659

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3S)-3-N-ethyl-1-N-[2-(1H-imidazol-2-yl)ethyl]-1,2,2-trimethylcyclopentane-1,3-dicarboxamide?
The IUPAC name of trans-(1R,3S)-3-N-ethyl-1-N-[2-(1H-imidazol-2-yl)ethyl]-1,2,2-trimethylcyclopentane-1,3-dicarboxamide (CID 118761460) is trans-(1R,3S)-3-N-ethyl-1-N-[2-(1H-imidazol-2-yl)ethyl]-1,2,2-trimethylcyclopentane-1,3-dicarboxamide.
What is the SMILES notation for trans-(1R,3S)-3-N-ethyl-1-N-[2-(1H-imidazol-2-yl)ethyl]-1,2,2-trimethylcyclopentane-1,3-dicarboxamide?
The canonical SMILES for trans-(1R,3S)-3-N-ethyl-1-N-[2-(1H-imidazol-2-yl)ethyl]-1,2,2-trimethylcyclopentane-1,3-dicarboxamide is CCNC(=O)[C@H]1CC[C@@](C)(C(=O)NCCc2ncc[nH]2)C1(C)C.
What is the InChIKey of trans-(1R,3S)-3-N-ethyl-1-N-[2-(1H-imidazol-2-yl)ethyl]-1,2,2-trimethylcyclopentane-1,3-dicarboxamide?
The InChIKey is CRJFRNWCZXWYKG-PXAZEXFGSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-5-18-14(22)12-6-8-17(4,16(12,2)3)15(23)21-9-7-13-19-10-11-20-13/h10-12H,5-9H2,1-4H3,(H,18,22)(H,19,20)(H,21,23)/t12-,17+/m1/s1.
What are the key properties of trans-(1R,3S)-3-N-ethyl-1-N-[2-(1H-imidazol-2-yl)ethyl]-1,2,2-trimethylcyclopentane-1,3-dicarboxamide?
trans-(1R,3S)-3-N-ethyl-1-N-[2-(1H-imidazol-2-yl)ethyl]-1,2,2-trimethylcyclopentane-1,3-dicarboxamide has a molecular weight of 320.44 g/mol, XLogP of 1.65, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3S)-3-N-ethyl-1-N-[2-(1H-imidazol-2-yl)ethyl]-1,2,2-trimethylcyclopentane-1,3-dicarboxamide is sourced from PubChem (CID 118761460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).