(1S,2S,4R)-2-ethyl-N-[2-(1H-imidazol-5-yl)ethyl]-7-(oxan-4-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide

C19H30N4O2 — CID 135119568

IUPAC(1S,2S,4R)-2-ethyl-N-[2-(1H-imidazol-5-yl)ethyl]-7-(oxan-4-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
SMILESCC[C@]1(C(=O)NCCc2cnc[nH]2)C[C@H]2CC[C@@H]1N2C1CCOCC1
InChIInChI=1S/C19H30N4O2/c1-2-19(18(24)21-8-5-14-12-20-13-22-14)11-16-3-4-17(19)23(16)15-6-9-25-10-7-15/h12-13,15-17H,2-11H2,1H3,(H,20,22)(H,21,24)/t16-,17+,19+/m1/s1
InChIKeyFUCHSIJSRMBMGN-AOIWGVFYSA-N
MW346.48 g/mol
LogP1.88
Rot. Bonds6

About (1S,2S,4R)-2-ethyl-N-[2-(1H-imidazol-5-yl)ethyl]-7-(oxan-4-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide

(1S,2S,4R)-2-ethyl-N-[2-(1H-imidazol-5-yl)ethyl]-7-(oxan-4-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 135119568) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is (1S,2S,4R)-2-ethyl-N-[2-(1H-imidazol-5-yl)ethyl]-7-(oxan-4-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name(1S,2S,4R)-2-ethyl-N-[2-(1H-imidazol-5-yl)ethyl]-7-(oxan-4-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
PubChem CID135119568
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name(1S,2S,4R)-2-ethyl-N-[2-(1H-imidazol-5-yl)ethyl]-7-(oxan-4-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
SMILESCC[C@]1(C(=O)NCCc2cnc[nH]2)C[C@H]2CC[C@@H]1N2C1CCOCC1
InChIInChI=1S/C19H30N4O2/c1-2-19(18(24)21-8-5-14-12-20-13-22-14)11-16-3-4-17(19)23(16)15-6-9-25-10-7-15/h12-13,15-17H,2-11H2,1H3,(H,20,22)(H,21,24)/t16-,17+,19+/m1/s1
InChIKeyFUCHSIJSRMBMGN-AOIWGVFYSA-N
XLogP1.88
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1S,2S,4R)-2-ethyl-N-[2-(1H-imidazol-5-yl)ethyl]-7-(oxan-4-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(1H-Imidazol-4-YL)ethyl]-8-(3-methoxypropanoyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72883695
(6S)-2-[2-(1H-imidazol-5-yl)ethyl]-8-(pyrrolidine-1-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96580518
2-cyclohexyl-1-[4-[2-(1H-imidazol-5-yl)acetyl]piperazin-1-yl]ethanone
CID 11688298
(2S)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-[[ethyl-[2-(1H-imidazol-5-yl)ethyl]amino]methyl]pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide
CID 59787963
2-[1-[4-[2-(1H-imidazol-5-yl)acetyl]piperazin-1-yl]cyclohexyl]acetamide
CID 69644944
N-[(1S)-1-cyclohexyl-2-[(2S)-2-[[ethyl-[2-(1H-imidazol-5-yl)ethyl]amino]methyl]pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide
CID 71001983
2-[2-(1H-imidazol-5-yl)ethyl]-2-azaspiro[4.5]decane-1,3-dione
CID 65231471
N-[2-(1H-imidazol-5-yl)ethyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 65507378
7-[2-(1H-imidazol-5-yl)ethylcarbamoyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 65518107
2-[2-(1H-imidazol-4-yl)ethyl]-8-(tetrahydro-2H-pyran-4-yl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70728217
2-[2-(1H-imidazol-4-yl)ethyl]-8-(1-pyrrolidinylcarbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70777948
2-[2-(1H-imidazol-5-yl)acetyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 72844359

Frequently Asked Questions

What is the IUPAC name of (1S,2S,4R)-2-ethyl-N-[2-(1H-imidazol-5-yl)ethyl]-7-(oxan-4-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of (1S,2S,4R)-2-ethyl-N-[2-(1H-imidazol-5-yl)ethyl]-7-(oxan-4-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide (CID 135119568) is (1S,2S,4R)-2-ethyl-N-[2-(1H-imidazol-5-yl)ethyl]-7-(oxan-4-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for (1S,2S,4R)-2-ethyl-N-[2-(1H-imidazol-5-yl)ethyl]-7-(oxan-4-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for (1S,2S,4R)-2-ethyl-N-[2-(1H-imidazol-5-yl)ethyl]-7-(oxan-4-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide is CC[C@]1(C(=O)NCCc2cnc[nH]2)C[C@H]2CC[C@@H]1N2C1CCOCC1.
What is the InChIKey of (1S,2S,4R)-2-ethyl-N-[2-(1H-imidazol-5-yl)ethyl]-7-(oxan-4-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is FUCHSIJSRMBMGN-AOIWGVFYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-2-19(18(24)21-8-5-14-12-20-13-22-14)11-16-3-4-17(19)23(16)15-6-9-25-10-7-15/h12-13,15-17H,2-11H2,1H3,(H,20,22)(H,21,24)/t16-,17+,19+/m1/s1.
What are the key properties of (1S,2S,4R)-2-ethyl-N-[2-(1H-imidazol-5-yl)ethyl]-7-(oxan-4-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide?
(1S,2S,4R)-2-ethyl-N-[2-(1H-imidazol-5-yl)ethyl]-7-(oxan-4-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 346.48 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4R)-2-ethyl-N-[2-(1H-imidazol-5-yl)ethyl]-7-(oxan-4-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 135119568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).