N-cyclohexyl-3-[1-(3-methoxypropyl)-5-methylimidazol-2-yl]pyrrolidine-1-carboxamide

C19H32N4O2 — CID 91923890

IUPACN-cyclohexyl-3-[1-(3-methoxypropyl)-5-methylimidazol-2-yl]pyrrolidine-1-carboxamide
SMILESCOCCCn1c(C)cnc1C1CCN(C(=O)NC2CCCCC2)C1
InChIInChI=1S/C19H32N4O2/c1-15-13-20-18(23(15)10-6-12-25-2)16-9-11-22(14-16)19(24)21-17-7-4-3-5-8-17/h13,16-17H,3-12,14H2,1-2H3,(H,21,24)
InChIKeyZDVLFVOGZKINOV-UHFFFAOYSA-N
MW348.49 g/mol
LogP3.06
Rot. Bonds6

About N-cyclohexyl-3-[1-(3-methoxypropyl)-5-methylimidazol-2-yl]pyrrolidine-1-carboxamide

N-cyclohexyl-3-[1-(3-methoxypropyl)-5-methylimidazol-2-yl]pyrrolidine-1-carboxamide (PubChem CID 91923890) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is N-cyclohexyl-3-[1-(3-methoxypropyl)-5-methylimidazol-2-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[1-(3-methoxypropyl)-5-methylimidazol-2-yl]pyrrolidine-1-carboxamide
PubChem CID91923890
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC NameN-cyclohexyl-3-[1-(3-methoxypropyl)-5-methylimidazol-2-yl]pyrrolidine-1-carboxamide
SMILESCOCCCn1c(C)cnc1C1CCN(C(=O)NC2CCCCC2)C1
InChIInChI=1S/C19H32N4O2/c1-15-13-20-18(23(15)10-6-12-25-2)16-9-11-22(14-16)19(24)21-17-7-4-3-5-8-17/h13,16-17H,3-12,14H2,1-2H3,(H,21,24)
InChIKeyZDVLFVOGZKINOV-UHFFFAOYSA-N
XLogP3.06
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 53.06
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

(4aS,8aR)-N-cyclohexyl-1-(3-methoxypropyl)-2-oxo-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridine-6-carboxamide
CID 56904063
4-[1-(3-methoxypropyl)-5-methylimidazol-2-yl]piperidine
CID 176515358
(3S,4R)-3-amino-N-cyclopentyl-4-[3-[1-(3-methoxypropyl)benzimidazol-2-yl]piperidine-1-carbonyl]pyrrolidine-1-carboxamide
CID 66785672
(3R)-N-cyclohexyl-3-methylpyrrolidine-1-carboxamide
CID 66581198
N-cyclopropyl-4-(3-methoxypropyl)-3,5-dimethylpiperazine-1-carboxamide
CID 110616565
N-cyclohexyl-3-(1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide
CID 121019590
2-[[3-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]pyrrolidin-1-yl]methyl]pyridine
CID 91923872
N-cyclohexyl-7-(2-methoxyethyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide
CID 45221572
N-cyclohexyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide
CID 110603715
methyl 1-(cyclohexylcarbamoyl)piperidine-4-carboxylate
CID 894690
2-[(3S,4R)-3-amino-4-[(3R)-3-[1-(3-methoxypropyl)benzimidazol-2-yl]piperidine-1-carbonyl]pyrrolidin-1-yl]-2-cyclohexylacetaldehyde
CID 87150673
N-cyclohexyl-2-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 78759545

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[1-(3-methoxypropyl)-5-methylimidazol-2-yl]pyrrolidine-1-carboxamide?
The IUPAC name of N-cyclohexyl-3-[1-(3-methoxypropyl)-5-methylimidazol-2-yl]pyrrolidine-1-carboxamide (CID 91923890) is N-cyclohexyl-3-[1-(3-methoxypropyl)-5-methylimidazol-2-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-3-[1-(3-methoxypropyl)-5-methylimidazol-2-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-3-[1-(3-methoxypropyl)-5-methylimidazol-2-yl]pyrrolidine-1-carboxamide is COCCCn1c(C)cnc1C1CCN(C(=O)NC2CCCCC2)C1.
What is the InChIKey of N-cyclohexyl-3-[1-(3-methoxypropyl)-5-methylimidazol-2-yl]pyrrolidine-1-carboxamide?
The InChIKey is ZDVLFVOGZKINOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-15-13-20-18(23(15)10-6-12-25-2)16-9-11-22(14-16)19(24)21-17-7-4-3-5-8-17/h13,16-17H,3-12,14H2,1-2H3,(H,21,24).
What are the key properties of N-cyclohexyl-3-[1-(3-methoxypropyl)-5-methylimidazol-2-yl]pyrrolidine-1-carboxamide?
N-cyclohexyl-3-[1-(3-methoxypropyl)-5-methylimidazol-2-yl]pyrrolidine-1-carboxamide has a molecular weight of 348.49 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[1-(3-methoxypropyl)-5-methylimidazol-2-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 91923890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).