N-butyl-1-(3-imidazol-1-ylpropyl)-2-methyl-5-oxopyrrolidine-2-carboxamide

C16H26N4O2 — CID 51361559

IUPACN-butyl-1-(3-imidazol-1-ylpropyl)-2-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCCCCNC(=O)C1(C)CCC(=O)N1CCCn1ccnc1
InChIInChI=1S/C16H26N4O2/c1-3-4-8-18-15(22)16(2)7-6-14(21)20(16)11-5-10-19-12-9-17-13-19/h9,12-13H,3-8,10-11H2,1-2H3,(H,18,22)
InChIKeyWHJMBERYEMQGBC-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.57
Rot. Bonds8

About N-butyl-1-(3-imidazol-1-ylpropyl)-2-methyl-5-oxopyrrolidine-2-carboxamide

N-butyl-1-(3-imidazol-1-ylpropyl)-2-methyl-5-oxopyrrolidine-2-carboxamide (PubChem CID 51361559) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-butyl-1-(3-imidazol-1-ylpropyl)-2-methyl-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-butyl-1-(3-imidazol-1-ylpropyl)-2-methyl-5-oxopyrrolidine-2-carboxamide
PubChem CID51361559
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC NameN-butyl-1-(3-imidazol-1-ylpropyl)-2-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCCCCNC(=O)C1(C)CCC(=O)N1CCCn1ccnc1
InChIInChI=1S/C16H26N4O2/c1-3-4-8-18-15(22)16(2)7-6-14(21)20(16)11-5-10-19-12-9-17-13-19/h9,12-13H,3-8,10-11H2,1-2H3,(H,18,22)
InChIKeyWHJMBERYEMQGBC-UHFFFAOYSA-N
XLogP1.57
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2-Imidazol-1-ylethyl)-5,5-dimethylimidazolidine-2,4-dione
CID 47164586
(2S)-N-[1-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)imidazol-4-yl]-2-(pentan-3-ylamino)pentanamide
CID 54585771
N-[3-(1H-imidazol-1-yl)propyl]-5-oxoprolinamide
CID 653923
(5S)-3-[3-(1H-imidazol-1-yl)propyl]-5-methylimidazolidine-2,4-dione
CID 7068409
N-tert-butyl-1-(3-imidazol-1-ylpropyl)-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 51361563
(2S)-2-(3-methylbutylamino)-N-[1-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)imidazol-4-yl]pentanamide
CID 54582860
H-Pyr-Ala(imidazol-2-yl)(imidazol-2-yl)-Pro-NH2
CID 452611
(2R)-2-[[2-[[2-[[2-[[2-[[2-(6-aminohexylamino)acetyl]-(3-guanidinopropyl)amino]acetyl]-(3-guanidinopropyl)amino]acetyl]-(3-imidazol-1-ylpropyl)amino]acetyl]-(3-guanidinopropyl)amino]acetyl]amino]-5-guanidino-pentanamide
CID 484275
(S)-3-(3-(1H-imidazol-1-yl)propyl)-5-isobutylimidazolidine-2,4-dione
CID 7068386
(2S,4S)-4-[(2,2-dimethylpropanoyl)amino]-N-(1H-imidazol-2-ylmethyl)-1-methylpyrrolidine-2-carboxamide
CID 56718025
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

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-(3-imidazol-1-ylpropyl)-2-methyl-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-butyl-1-(3-imidazol-1-ylpropyl)-2-methyl-5-oxopyrrolidine-2-carboxamide (CID 51361559) is N-butyl-1-(3-imidazol-1-ylpropyl)-2-methyl-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-butyl-1-(3-imidazol-1-ylpropyl)-2-methyl-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-butyl-1-(3-imidazol-1-ylpropyl)-2-methyl-5-oxopyrrolidine-2-carboxamide is CCCCNC(=O)C1(C)CCC(=O)N1CCCn1ccnc1.
What is the InChIKey of N-butyl-1-(3-imidazol-1-ylpropyl)-2-methyl-5-oxopyrrolidine-2-carboxamide?
The InChIKey is WHJMBERYEMQGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-3-4-8-18-15(22)16(2)7-6-14(21)20(16)11-5-10-19-12-9-17-13-19/h9,12-13H,3-8,10-11H2,1-2H3,(H,18,22).
What are the key properties of N-butyl-1-(3-imidazol-1-ylpropyl)-2-methyl-5-oxopyrrolidine-2-carboxamide?
N-butyl-1-(3-imidazol-1-ylpropyl)-2-methyl-5-oxopyrrolidine-2-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 1.57, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-(3-imidazol-1-ylpropyl)-2-methyl-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 51361559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).