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

C18H28N4O3 — CID 72842071

IUPACN-[(3R,4S)-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+/m1/s1
InChIKeyQUNNFKCCHYHMPG-CABCVRRESA-N
MW348.45 g/mol
LogP0.84
Rot. Bonds8

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

N-[(3R,4S)-4-cyclopropyl-1-(2-methoxyacetyl)pyrrolidin-3-yl]-3-(2-ethylimidazol-1-yl)propanamide (PubChem CID 72842071) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[(3R,4S)-4-cyclopropyl-1-(2-methoxyacetyl)pyrrolidin-3-yl]-3-(2-ethylimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-cyclopropyl-1-(2-methoxyacetyl)pyrrolidin-3-yl]-3-(2-ethylimidazol-1-yl)propanamide
PubChem CID72842071
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC NameN-[(3R,4S)-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+/m1/s1
InChIKeyQUNNFKCCHYHMPG-CABCVRRESA-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

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

N-[rel-(3R,4S)-1-cyclopentyl-4-cyclopropyl-3-pyrrolidinyl]-4-(1H-imidazol-1-yl)butanamide dihydrochloride
CID 72852975
2-[2-[[(3R,4S)-1-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]amino]-2-oxoethoxy]acetamide
CID 72855409
3-(2-methyl-1H-imidazol-1-yl)-N-[rel-(3R,4S)-4-propyl-1-(tetrahydro-2H-pyran-4-yl)-3-pyrrolidinyl]propanamide dihydrochloride
CID 72904742
(3R*,4S*)-1-[3-(2-ethyl-1H-imidazol-1-yl)propanoyl]-4-propylpyrrolidin-3-amine
CID 72852353
1,2,2-trimethyl-N-[2-(1-methyl-1H-imidazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 91843751
(4S)-4-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-1-methylimidazolidin-2-one
CID 97277218
N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-(2-methylimidazol-1-yl)propanamide
CID 125444734
N-[(7S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]-1-ethoxycyclopentane-1-carboxamide
CID 164631751
(4S)-4-[[1-(2-methoxyethyl)imidazol-2-yl]methylamino]-1-propylpyrrolidin-2-one
CID 164637577
(2S,3S)-N-(4,4-difluorocyclohexyl)-1-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 138012995
N-[(3S,4R)-1-(3,3-difluoro-2,2-dimethylbutanoyl)-4-(1-methylimidazol-2-yl)pyrrolidin-3-yl]-2-methoxyacetamide
CID 154787302
2-(difluoromethoxy)-N-[[6-[2-[(1-methylimidazol-2-yl)methoxy]acetyl]-6-azaspiro[3.4]octan-7-yl]methyl]acetamide
CID 167833764

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-cyclopropyl-1-(2-methoxyacetyl)pyrrolidin-3-yl]-3-(2-ethylimidazol-1-yl)propanamide?
The IUPAC name of N-[(3R,4S)-4-cyclopropyl-1-(2-methoxyacetyl)pyrrolidin-3-yl]-3-(2-ethylimidazol-1-yl)propanamide (CID 72842071) is N-[(3R,4S)-4-cyclopropyl-1-(2-methoxyacetyl)pyrrolidin-3-yl]-3-(2-ethylimidazol-1-yl)propanamide.
What is the SMILES notation for N-[(3R,4S)-4-cyclopropyl-1-(2-methoxyacetyl)pyrrolidin-3-yl]-3-(2-ethylimidazol-1-yl)propanamide?
The canonical SMILES for N-[(3R,4S)-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-[(3R,4S)-4-cyclopropyl-1-(2-methoxyacetyl)pyrrolidin-3-yl]-3-(2-ethylimidazol-1-yl)propanamide?
The InChIKey is QUNNFKCCHYHMPG-CABCVRRESA-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+/m1/s1.
What are the key properties of N-[(3R,4S)-4-cyclopropyl-1-(2-methoxyacetyl)pyrrolidin-3-yl]-3-(2-ethylimidazol-1-yl)propanamide?
N-[(3R,4S)-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-[(3R,4S)-4-cyclopropyl-1-(2-methoxyacetyl)pyrrolidin-3-yl]-3-(2-ethylimidazol-1-yl)propanamide is sourced from PubChem (CID 72842071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).