N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]azocane-1-carboxamide

C16H26N4O — CID 125437876

IUPACN-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]azocane-1-carboxamide
SMILESCn1ccnc1[C@H](NC(=O)N1CCCCCCC1)C1CC1
InChIInChI=1S/C16H26N4O/c1-19-12-9-17-15(19)14(13-7-8-13)18-16(21)20-10-5-3-2-4-6-11-20/h9,12-14H,2-8,10-11H2,1H3,(H,18,21)/t14-/m1/s1
InChIKeyFTXLGHCOCWHNDR-CQSZACIVSA-N
MW290.41 g/mol
LogP2.85
Rot. Bonds3

About N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]azocane-1-carboxamide

N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]azocane-1-carboxamide (PubChem CID 125437876) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]azocane-1-carboxamide.

Molecular Properties

Compound NameN-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]azocane-1-carboxamide
PubChem CID125437876
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC NameN-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]azocane-1-carboxamide
SMILESCn1ccnc1[C@H](NC(=O)N1CCCCCCC1)C1CC1
InChIInChI=1S/C16H26N4O/c1-19-12-9-17-15(19)14(13-7-8-13)18-16(21)20-10-5-3-2-4-6-11-20/h9,12-14H,2-8,10-11H2,1H3,(H,18,21)/t14-/m1/s1
InChIKeyFTXLGHCOCWHNDR-CQSZACIVSA-N
XLogP2.85
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-2,2-diethylmorpholine-4-carboxamide
CID 122570563
N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-(ethoxymethyl)morpholine-4-carboxamide
CID 154765252
N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 125445823
N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 125440909
N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-(2-methylimidazol-1-yl)propanamide
CID 125444734
N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-4-oxo-4-phenylbutanamide
CID 125176121
2-methyl-N-[(S)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]propanamide
CID 129487092
N-[(S)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyridine-4-carboxamide
CID 129487211
N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-5-methyl-1H-imidazole-2-carboxamide
CID 91794163
N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-methyl-6-oxo-1H-pyridine-4-carboxamide
CID 125436853
N-[3-[[cyclopropyl-(1-methylimidazol-2-yl)methyl]carbamoylamino]phenyl]cyclopentanecarboxamide
CID 72934817
N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-(1-methylsulfonylpiperidin-4-yl)acetamide
CID 110246266

Frequently Asked Questions

What is the IUPAC name of N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]azocane-1-carboxamide?
The IUPAC name of N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]azocane-1-carboxamide (CID 125437876) is N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]azocane-1-carboxamide.
What is the SMILES notation for N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]azocane-1-carboxamide?
The canonical SMILES for N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]azocane-1-carboxamide is Cn1ccnc1[C@H](NC(=O)N1CCCCCCC1)C1CC1.
What is the InChIKey of N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]azocane-1-carboxamide?
The InChIKey is FTXLGHCOCWHNDR-CQSZACIVSA-N. The full InChI is InChI=1S/C16H26N4O/c1-19-12-9-17-15(19)14(13-7-8-13)18-16(21)20-10-5-3-2-4-6-11-20/h9,12-14H,2-8,10-11H2,1H3,(H,18,21)/t14-/m1/s1.
What are the key properties of N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]azocane-1-carboxamide?
N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]azocane-1-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]azocane-1-carboxamide is sourced from PubChem (CID 125437876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).