N-[(3S,4R)-4-cyclopropyl-1-(2-methoxyacetyl)pyrrolidin-3-yl]-3-(2-ethylimidazol-1-yl)propanamide

C18H28N4O3 — CID 133131644

IUPACN-[(3S,4R)-4-cyclopropyl-1-(2-methoxyacetyl)pyrrolidin-3-yl]-3-(2-ethylimidazol-1-yl)propanamide
SMILESCCc1nccn1CCC(=O)N[C@@H]1CN(C(=O)COC)C[C@H]1C1CC1
InChIInChI=1S/C18H28N4O3/c1-3-16-19-7-9-21(16)8-6-17(23)20-15-11-22(18(24)12-25-2)10-14(15)13-4-5-13/h7,9,13-15H,3-6,8,10-12H2,1-2H3,(H,20,23)/t14-,15+/m0/s1
InChIKeyQUNNFKCCHYHMPG-LSDHHAIUSA-N
MW348.45 g/mol
LogP0.84
Rot. Bonds8

About N-[(3S,4R)-4-cyclopropyl-1-(2-methoxyacetyl)pyrrolidin-3-yl]-3-(2-ethylimidazol-1-yl)propanamide

N-[(3S,4R)-4-cyclopropyl-1-(2-methoxyacetyl)pyrrolidin-3-yl]-3-(2-ethylimidazol-1-yl)propanamide (PubChem CID 133131644) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[(3S,4R)-4-cyclopropyl-1-(2-methoxyacetyl)pyrrolidin-3-yl]-3-(2-ethylimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-cyclopropyl-1-(2-methoxyacetyl)pyrrolidin-3-yl]-3-(2-ethylimidazol-1-yl)propanamide
PubChem CID133131644
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC NameN-[(3S,4R)-4-cyclopropyl-1-(2-methoxyacetyl)pyrrolidin-3-yl]-3-(2-ethylimidazol-1-yl)propanamide
SMILESCCc1nccn1CCC(=O)N[C@@H]1CN(C(=O)COC)C[C@H]1C1CC1
InChIInChI=1S/C18H28N4O3/c1-3-16-19-7-9-21(16)8-6-17(23)20-15-11-22(18(24)12-25-2)10-14(15)13-4-5-13/h7,9,13-15H,3-6,8,10-12H2,1-2H3,(H,20,23)/t14-,15+/m0/s1
InChIKeyQUNNFKCCHYHMPG-LSDHHAIUSA-N
XLogP0.84
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-cyclopropyl-1-(2-methoxyacetyl)pyrrolidin-3-yl]-3-(2-ethylimidazol-1-yl)propanamide?
The IUPAC name of N-[(3S,4R)-4-cyclopropyl-1-(2-methoxyacetyl)pyrrolidin-3-yl]-3-(2-ethylimidazol-1-yl)propanamide (CID 133131644) is N-[(3S,4R)-4-cyclopropyl-1-(2-methoxyacetyl)pyrrolidin-3-yl]-3-(2-ethylimidazol-1-yl)propanamide.
What is the SMILES notation for N-[(3S,4R)-4-cyclopropyl-1-(2-methoxyacetyl)pyrrolidin-3-yl]-3-(2-ethylimidazol-1-yl)propanamide?
The canonical SMILES for N-[(3S,4R)-4-cyclopropyl-1-(2-methoxyacetyl)pyrrolidin-3-yl]-3-(2-ethylimidazol-1-yl)propanamide is CCc1nccn1CCC(=O)N[C@@H]1CN(C(=O)COC)C[C@H]1C1CC1.
What is the InChIKey of N-[(3S,4R)-4-cyclopropyl-1-(2-methoxyacetyl)pyrrolidin-3-yl]-3-(2-ethylimidazol-1-yl)propanamide?
The InChIKey is QUNNFKCCHYHMPG-LSDHHAIUSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-3-16-19-7-9-21(16)8-6-17(23)20-15-11-22(18(24)12-25-2)10-14(15)13-4-5-13/h7,9,13-15H,3-6,8,10-12H2,1-2H3,(H,20,23)/t14-,15+/m0/s1.
What are the key properties of N-[(3S,4R)-4-cyclopropyl-1-(2-methoxyacetyl)pyrrolidin-3-yl]-3-(2-ethylimidazol-1-yl)propanamide?
N-[(3S,4R)-4-cyclopropyl-1-(2-methoxyacetyl)pyrrolidin-3-yl]-3-(2-ethylimidazol-1-yl)propanamide has a molecular weight of 348.45 g/mol, XLogP of 0.84, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-cyclopropyl-1-(2-methoxyacetyl)pyrrolidin-3-yl]-3-(2-ethylimidazol-1-yl)propanamide is sourced from PubChem (CID 133131644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).