N-methoxy-N-methyl-3-[(1R)-1-phenylethyl]imidazole-4-carboxamide

C14H17N3O2 — CID 24828313

IUPACN-methoxy-N-methyl-3-[(1R)-1-phenylethyl]imidazole-4-carboxamide
SMILESCON(C)C(=O)c1cncn1[C@H](C)c1ccccc1
InChIInChI=1S/C14H17N3O2/c1-11(12-7-5-4-6-8-12)17-10-15-9-13(17)14(18)16(2)19-3/h4-11H,1-3H3/t11-/m1/s1
InChIKeyNRMRICJXQKALCH-LLVKDONJSA-N
MW259.31 g/mol
LogP2.13
Rot. Bonds4

About N-methoxy-N-methyl-3-[(1R)-1-phenylethyl]imidazole-4-carboxamide

N-methoxy-N-methyl-3-[(1R)-1-phenylethyl]imidazole-4-carboxamide (PubChem CID 24828313) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-methoxy-N-methyl-3-[(1R)-1-phenylethyl]imidazole-4-carboxamide.

Molecular Properties

Compound NameN-methoxy-N-methyl-3-[(1R)-1-phenylethyl]imidazole-4-carboxamide
PubChem CID24828313
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-methoxy-N-methyl-3-[(1R)-1-phenylethyl]imidazole-4-carboxamide
SMILESCON(C)C(=O)c1cncn1[C@H](C)c1ccccc1
InChIInChI=1S/C14H17N3O2/c1-11(12-7-5-4-6-8-12)17-10-15-9-13(17)14(18)16(2)19-3/h4-11H,1-3H3/t11-/m1/s1
InChIKeyNRMRICJXQKALCH-LLVKDONJSA-N
XLogP2.13
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Etomidate
CID 667484
Ethnor
CID 36339
1H-Imidazole-5-carboxylic acid, 1-((1S)-1-phenylethyl)-, ethyl ester
CID 6338045
Methyl 3-(1-phenylethyl)imidazole-4-carboxylate;hydrochloride
CID 118264
Metomidate
CID 21474
Methyl 1-(phenylmethyl)-1H-imidazole-5-carboxylate
CID 96879
Propyl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate
CID 65591
1-(1-hydroxy-4-phenylbutan-2-yl)-1H-imidazole-4-carboxamide
CID 3009363
Iodometomidate i-123, R-
CID 11660398
FR221647
CID 447340
4-[(5-Formylimidazol-1-yl)methyl]benzonitrile
CID 10632289
(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[3-[(1R)-1-phenylethyl]imidazol-4-yl]methanone
CID 155669602

Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-methyl-3-[(1R)-1-phenylethyl]imidazole-4-carboxamide?
The IUPAC name of N-methoxy-N-methyl-3-[(1R)-1-phenylethyl]imidazole-4-carboxamide (CID 24828313) is N-methoxy-N-methyl-3-[(1R)-1-phenylethyl]imidazole-4-carboxamide.
What is the SMILES notation for N-methoxy-N-methyl-3-[(1R)-1-phenylethyl]imidazole-4-carboxamide?
The canonical SMILES for N-methoxy-N-methyl-3-[(1R)-1-phenylethyl]imidazole-4-carboxamide is CON(C)C(=O)c1cncn1[C@H](C)c1ccccc1.
What is the InChIKey of N-methoxy-N-methyl-3-[(1R)-1-phenylethyl]imidazole-4-carboxamide?
The InChIKey is NRMRICJXQKALCH-LLVKDONJSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-11(12-7-5-4-6-8-12)17-10-15-9-13(17)14(18)16(2)19-3/h4-11H,1-3H3/t11-/m1/s1.
What are the key properties of N-methoxy-N-methyl-3-[(1R)-1-phenylethyl]imidazole-4-carboxamide?
N-methoxy-N-methyl-3-[(1R)-1-phenylethyl]imidazole-4-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methyl-3-[(1R)-1-phenylethyl]imidazole-4-carboxamide is sourced from PubChem (CID 24828313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).