(2R)-N-(cyclohexen-1-ylmethyl)-2-imidazol-1-ylpropanamide

C13H19N3O — CID 126449095

IUPAC(2R)-N-(cyclohexen-1-ylmethyl)-2-imidazol-1-ylpropanamide
SMILESC[C@H](C(=O)NCC1=CCCCC1)n1ccnc1
InChIInChI=1S/C13H19N3O/c1-11(16-8-7-14-10-16)13(17)15-9-12-5-3-2-4-6-12/h5,7-8,10-11H,2-4,6,9H2,1H3,(H,15,17)/t11-/m1/s1
InChIKeyMTIDCRAUTYSRHD-LLVKDONJSA-N
MW233.32 g/mol
LogP2.06
Rot. Bonds4

About (2R)-N-(cyclohexen-1-ylmethyl)-2-imidazol-1-ylpropanamide

(2R)-N-(cyclohexen-1-ylmethyl)-2-imidazol-1-ylpropanamide (PubChem CID 126449095) has the molecular formula C13H19N3O and a molecular weight of 233.32 g/mol. Its IUPAC name is (2R)-N-(cyclohexen-1-ylmethyl)-2-imidazol-1-ylpropanamide.

Molecular Properties

Compound Name(2R)-N-(cyclohexen-1-ylmethyl)-2-imidazol-1-ylpropanamide
PubChem CID126449095
Molecular FormulaC13H19N3O
Molecular Weight233.32 g/mol
Exact Mass233.15
IUPAC Name(2R)-N-(cyclohexen-1-ylmethyl)-2-imidazol-1-ylpropanamide
SMILESC[C@H](C(=O)NCC1=CCCCC1)n1ccnc1
InChIInChI=1S/C13H19N3O/c1-11(16-8-7-14-10-16)13(17)15-9-12-5-3-2-4-6-12/h5,7-8,10-11H,2-4,6,9H2,1H3,(H,15,17)/t11-/m1/s1
InChIKeyMTIDCRAUTYSRHD-LLVKDONJSA-N
XLogP2.06
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-imidazol-1-yl-N-(methylcarbamoyl)propanamide
CID 60704182
N-(cyclohexen-1-ylmethyl)-2-(3,5-dimethylphenoxy)propanamide
CID 133211059
N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-imidazol-1-ylpropanamide
CID 60509216
N-cyclohexyl-2-imidazol-1-ylpropanamide
CID 46458376
(2S)-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-imidazol-1-ylpropanamide
CID 94669996
(2R)-N-(cyclohexen-1-ylmethyl)-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide
CID 97198876
N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-3-pyrazol-1-ylpropanamide
CID 131924118
(2R)-2-imidazol-1-yl-N-[(1-phenylcyclopropyl)methyl]propanamide
CID 94117739
N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-2-imidazol-1-ylpropanamide
CID 49046843
N-(2-hydroxypropan-2-yl)-2-imidazol-1-ylpropanamide
CID 174552130
N-(cyclohexen-1-ylmethyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 133180031
N-[2-(2-bromophenyl)ethyl]-2-imidazol-1-ylpropanamide
CID 49052603

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(cyclohexen-1-ylmethyl)-2-imidazol-1-ylpropanamide?
The IUPAC name of (2R)-N-(cyclohexen-1-ylmethyl)-2-imidazol-1-ylpropanamide (CID 126449095) is (2R)-N-(cyclohexen-1-ylmethyl)-2-imidazol-1-ylpropanamide.
What is the SMILES notation for (2R)-N-(cyclohexen-1-ylmethyl)-2-imidazol-1-ylpropanamide?
The canonical SMILES for (2R)-N-(cyclohexen-1-ylmethyl)-2-imidazol-1-ylpropanamide is C[C@H](C(=O)NCC1=CCCCC1)n1ccnc1.
What is the InChIKey of (2R)-N-(cyclohexen-1-ylmethyl)-2-imidazol-1-ylpropanamide?
The InChIKey is MTIDCRAUTYSRHD-LLVKDONJSA-N. The full InChI is InChI=1S/C13H19N3O/c1-11(16-8-7-14-10-16)13(17)15-9-12-5-3-2-4-6-12/h5,7-8,10-11H,2-4,6,9H2,1H3,(H,15,17)/t11-/m1/s1.
What are the key properties of (2R)-N-(cyclohexen-1-ylmethyl)-2-imidazol-1-ylpropanamide?
(2R)-N-(cyclohexen-1-ylmethyl)-2-imidazol-1-ylpropanamide has a molecular weight of 233.32 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(cyclohexen-1-ylmethyl)-2-imidazol-1-ylpropanamide is sourced from PubChem (CID 126449095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).