4-imidazol-1-yl-N-[(3R,4S)-1-(oxan-4-yl)-4-propylpyrrolidin-3-yl]butanamide

C19H32N4O2 — CID 72848179

IUPAC4-imidazol-1-yl-N-[(3R,4S)-1-(oxan-4-yl)-4-propylpyrrolidin-3-yl]butanamide
SMILESCCC[C@H]1CN(C2CCOCC2)C[C@@H]1NC(=O)CCCn1ccnc1
InChIInChI=1S/C19H32N4O2/c1-2-4-16-13-23(17-6-11-25-12-7-17)14-18(16)21-19(24)5-3-9-22-10-8-20-15-22/h8,10,15-18H,2-7,9,11-14H2,1H3,(H,21,24)/t16-,18-/m0/s1
InChIKeyWJBXVOSSJAYQGB-WMZOPIPTSA-N
MW348.49 g/mol
LogP2.06
Rot. Bonds8

About 4-imidazol-1-yl-N-[(3R,4S)-1-(oxan-4-yl)-4-propylpyrrolidin-3-yl]butanamide

4-imidazol-1-yl-N-[(3R,4S)-1-(oxan-4-yl)-4-propylpyrrolidin-3-yl]butanamide (PubChem CID 72848179) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is 4-imidazol-1-yl-N-[(3R,4S)-1-(oxan-4-yl)-4-propylpyrrolidin-3-yl]butanamide.

Molecular Properties

Compound Name4-imidazol-1-yl-N-[(3R,4S)-1-(oxan-4-yl)-4-propylpyrrolidin-3-yl]butanamide
PubChem CID72848179
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC Name4-imidazol-1-yl-N-[(3R,4S)-1-(oxan-4-yl)-4-propylpyrrolidin-3-yl]butanamide
SMILESCCC[C@H]1CN(C2CCOCC2)C[C@@H]1NC(=O)CCCn1ccnc1
InChIInChI=1S/C19H32N4O2/c1-2-4-16-13-23(17-6-11-25-12-7-17)14-18(16)21-19(24)5-3-9-22-10-8-20-15-22/h8,10,15-18H,2-7,9,11-14H2,1H3,(H,21,24)/t16-,18-/m0/s1
InChIKeyWJBXVOSSJAYQGB-WMZOPIPTSA-N
XLogP2.06
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-({(2S,4S)-4-fluoro-1-[4-(2-methyl-1H-imidazol-1-yl)butanoyl]pyrrolidin-2-yl}methyl)-3-methylbutanamide
CID 70755207
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
1-(methoxymethyl)-N-{rel-(3R,4S)-1-[(1-methyl-1H-imidazol-2-yl)methyl]-4-propyl-3-pyrrolidinyl}cyclobutanecarboxamide dihydrochloride
CID 72875769
4-(1H-imidazol-1-yl)-N-[rel-(3R,4S)-1-(methylsulfonyl)-4-propyl-3-pyrrolidinyl]butanamide hydrochloride
CID 72890648
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
1,1-Dimethyl-3-[8-[(1-methylimidazol-2-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]urea
CID 118739795
(4R,8R)-1-methyl-8-[(1-methylimidazol-2-yl)methylamino]-N-(oxan-4-yl)-2-oxoazonane-4-carboxamide
CID 75411882
1-[3-Ethyl-4-[(1-methylimidazol-2-yl)methylamino]piperidin-1-yl]propan-1-one
CID 71927403
N-(3-ethoxyspiro[3.4]octan-1-yl)-4-imidazol-1-ylbutanamide
CID 71993490
(3R*,4S*)-4-cyclopropyl-1-[4-(1H-imidazol-1-yl)butanoyl]pyrrolidin-3-amine
CID 72880571
4-(1H-imidazol-1-yl)-N-{[1-(methoxymethyl)cyclopentyl]methyl}butanamide
CID 91833156

Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-N-[(3R,4S)-1-(oxan-4-yl)-4-propylpyrrolidin-3-yl]butanamide?
The IUPAC name of 4-imidazol-1-yl-N-[(3R,4S)-1-(oxan-4-yl)-4-propylpyrrolidin-3-yl]butanamide (CID 72848179) is 4-imidazol-1-yl-N-[(3R,4S)-1-(oxan-4-yl)-4-propylpyrrolidin-3-yl]butanamide.
What is the SMILES notation for 4-imidazol-1-yl-N-[(3R,4S)-1-(oxan-4-yl)-4-propylpyrrolidin-3-yl]butanamide?
The canonical SMILES for 4-imidazol-1-yl-N-[(3R,4S)-1-(oxan-4-yl)-4-propylpyrrolidin-3-yl]butanamide is CCC[C@H]1CN(C2CCOCC2)C[C@@H]1NC(=O)CCCn1ccnc1.
What is the InChIKey of 4-imidazol-1-yl-N-[(3R,4S)-1-(oxan-4-yl)-4-propylpyrrolidin-3-yl]butanamide?
The InChIKey is WJBXVOSSJAYQGB-WMZOPIPTSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-2-4-16-13-23(17-6-11-25-12-7-17)14-18(16)21-19(24)5-3-9-22-10-8-20-15-22/h8,10,15-18H,2-7,9,11-14H2,1H3,(H,21,24)/t16-,18-/m0/s1.
What are the key properties of 4-imidazol-1-yl-N-[(3R,4S)-1-(oxan-4-yl)-4-propylpyrrolidin-3-yl]butanamide?
4-imidazol-1-yl-N-[(3R,4S)-1-(oxan-4-yl)-4-propylpyrrolidin-3-yl]butanamide has a molecular weight of 348.49 g/mol, XLogP of 2.06, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-N-[(3R,4S)-1-(oxan-4-yl)-4-propylpyrrolidin-3-yl]butanamide is sourced from PubChem (CID 72848179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).