N-[(1S)-2-(1-methylimidazol-2-yl)-1-phenylethyl]cyclobutanecarboxamide

C17H21N3O — CID 97218361

IUPACN-[(1S)-2-(1-methylimidazol-2-yl)-1-phenylethyl]cyclobutanecarboxamide
SMILESCn1ccnc1C[C@H](NC(=O)C1CCC1)c1ccccc1
InChIInChI=1S/C17H21N3O/c1-20-11-10-18-16(20)12-15(13-6-3-2-4-7-13)19-17(21)14-8-5-9-14/h2-4,6-7,10-11,14-15H,5,8-9,12H2,1H3,(H,19,21)/t15-/m0/s1
InChIKeyLHVDEDZUGRRCMP-HNNXBMFYSA-N
MW283.38 g/mol
LogP2.62
Rot. Bonds5

About N-[(1S)-2-(1-methylimidazol-2-yl)-1-phenylethyl]cyclobutanecarboxamide

N-[(1S)-2-(1-methylimidazol-2-yl)-1-phenylethyl]cyclobutanecarboxamide (PubChem CID 97218361) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-[(1S)-2-(1-methylimidazol-2-yl)-1-phenylethyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[(1S)-2-(1-methylimidazol-2-yl)-1-phenylethyl]cyclobutanecarboxamide
PubChem CID97218361
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-[(1S)-2-(1-methylimidazol-2-yl)-1-phenylethyl]cyclobutanecarboxamide
SMILESCn1ccnc1C[C@H](NC(=O)C1CCC1)c1ccccc1
InChIInChI=1S/C17H21N3O/c1-20-11-10-18-16(20)12-15(13-6-3-2-4-7-13)19-17(21)14-8-5-9-14/h2-4,6-7,10-11,14-15H,5,8-9,12H2,1H3,(H,19,21)/t15-/m0/s1
InChIKeyLHVDEDZUGRRCMP-HNNXBMFYSA-N
XLogP2.62
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1S,2S)-N-[(1S)-2-(1-methylimidazol-2-yl)-1-phenylethyl]-2-phenylcyclopropane-1-carboxamide
CID 96568567
(1R,2S,4S)-N-[(1S)-2-(1-methylimidazol-2-yl)-1-phenylethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98201288
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]cyclohexanecarboxamide
CID 25341826
2-methyl-N-[2-(1-methylimidazol-2-yl)-1-phenylethyl]pyridine-3-carboxamide
CID 71987373
4-(dimethylamino)-N-[(1R)-2-(1-methylimidazol-2-yl)-1-phenylethyl]benzamide
CID 95783170
N-(2-hydroxy-1-phenylethyl)cyclobutanecarboxamide
CID 63184812
N-[(1S)-2-hydroxy-1-phenylethyl]cyclobutanecarboxamide
CID 103945021
3-iodo-N-[(1R)-2-(1-methylimidazol-2-yl)-1-phenylethyl]benzamide
CID 95782251
3-(1-methylimidazol-2-yl)-2-phenylpropanoic acid
CID 81008633
N'-[(1R)-2-(1-methylimidazol-2-yl)-1-phenylethyl]-N-[4-[(3R)-oxolan-3-yl]oxyphenyl]oxamide
CID 97010260
4-methyl-N-[2-(1-methylimidazol-2-yl)-1-phenylethyl]benzenesulfonamide
CID 102352481
1-methyl-N-(1-phenylpropyl)piperidine-4-carboxamide
CID 50875269

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-(1-methylimidazol-2-yl)-1-phenylethyl]cyclobutanecarboxamide?
The IUPAC name of N-[(1S)-2-(1-methylimidazol-2-yl)-1-phenylethyl]cyclobutanecarboxamide (CID 97218361) is N-[(1S)-2-(1-methylimidazol-2-yl)-1-phenylethyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[(1S)-2-(1-methylimidazol-2-yl)-1-phenylethyl]cyclobutanecarboxamide?
The canonical SMILES for N-[(1S)-2-(1-methylimidazol-2-yl)-1-phenylethyl]cyclobutanecarboxamide is Cn1ccnc1C[C@H](NC(=O)C1CCC1)c1ccccc1.
What is the InChIKey of N-[(1S)-2-(1-methylimidazol-2-yl)-1-phenylethyl]cyclobutanecarboxamide?
The InChIKey is LHVDEDZUGRRCMP-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-20-11-10-18-16(20)12-15(13-6-3-2-4-7-13)19-17(21)14-8-5-9-14/h2-4,6-7,10-11,14-15H,5,8-9,12H2,1H3,(H,19,21)/t15-/m0/s1.
What are the key properties of N-[(1S)-2-(1-methylimidazol-2-yl)-1-phenylethyl]cyclobutanecarboxamide?
N-[(1S)-2-(1-methylimidazol-2-yl)-1-phenylethyl]cyclobutanecarboxamide has a molecular weight of 283.38 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-(1-methylimidazol-2-yl)-1-phenylethyl]cyclobutanecarboxamide is sourced from PubChem (CID 97218361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).