N-[1-(1H-imidazol-2-yl)propyl]-2-methoxy-2-methylbutanamide

C12H21N3O2 — CID 114105991

IUPACN-[1-(1H-imidazol-2-yl)propyl]-2-methoxy-2-methylbutanamide
SMILESCCC(NC(=O)C(C)(CC)OC)c1ncc[nH]1
InChIInChI=1S/C12H21N3O2/c1-5-9(10-13-7-8-14-10)15-11(16)12(3,6-2)17-4/h7-9H,5-6H2,1-4H3,(H,13,14)(H,15,16)
InChIKeyOLHIHAZDORIZCR-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.79
Rot. Bonds6

About N-[1-(1H-imidazol-2-yl)propyl]-2-methoxy-2-methylbutanamide

N-[1-(1H-imidazol-2-yl)propyl]-2-methoxy-2-methylbutanamide (PubChem CID 114105991) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-[1-(1H-imidazol-2-yl)propyl]-2-methoxy-2-methylbutanamide.

Molecular Properties

Compound NameN-[1-(1H-imidazol-2-yl)propyl]-2-methoxy-2-methylbutanamide
PubChem CID114105991
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN-[1-(1H-imidazol-2-yl)propyl]-2-methoxy-2-methylbutanamide
SMILESCCC(NC(=O)C(C)(CC)OC)c1ncc[nH]1
InChIInChI=1S/C12H21N3O2/c1-5-9(10-13-7-8-14-10)15-11(16)12(3,6-2)17-4/h7-9H,5-6H2,1-4H3,(H,13,14)(H,15,16)
InChIKeyOLHIHAZDORIZCR-UHFFFAOYSA-N
XLogP1.79
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-bis[1-(1H-imidazol-2-yl)propyl]urea
CID 162195808
(2R)-N-[1-(1H-imidazol-2-yl)propyl]-5-oxopyrrolidine-2-carboxamide
CID 104874088
N-[3-(1H-imidazol-2-yl)propyl]-2-methoxy-2-methylbutanamide
CID 114105992
N-[1-(1H-imidazol-2-yl)propyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 106704075
tert-butyl N-[1-(1H-imidazol-2-yl)heptyl]carbamate
CID 141036536
(2R)-2-amino-N-[1-(1H-imidazol-2-yl)propyl]-2-phenylacetamide
CID 104871611
3-bromo-5-chloro-N-[1-(1H-imidazol-2-yl)propyl]benzamide
CID 105359452
(2S)-5-amino-2-[1-(1H-imidazol-2-yl)propylcarbamoylamino]-5-oxopentanoic acid
CID 104871726
N-[(1S)-1-(1H-imidazol-2-yl)-2-methylpropyl]-2,2-dimethylpropanamide
CID 141434977
(2R,4R)-4-hydroxy-1-[1-(1H-imidazol-2-yl)propylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 104871708
methyl 2-(1H-imidazol-2-yl)propanoate
CID 67005810
3-hydrazinyl-N-[1-(1H-imidazol-2-yl)propyl]pyridine-4-carboxamide
CID 105072502

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-imidazol-2-yl)propyl]-2-methoxy-2-methylbutanamide?
The IUPAC name of N-[1-(1H-imidazol-2-yl)propyl]-2-methoxy-2-methylbutanamide (CID 114105991) is N-[1-(1H-imidazol-2-yl)propyl]-2-methoxy-2-methylbutanamide.
What is the SMILES notation for N-[1-(1H-imidazol-2-yl)propyl]-2-methoxy-2-methylbutanamide?
The canonical SMILES for N-[1-(1H-imidazol-2-yl)propyl]-2-methoxy-2-methylbutanamide is CCC(NC(=O)C(C)(CC)OC)c1ncc[nH]1.
What is the InChIKey of N-[1-(1H-imidazol-2-yl)propyl]-2-methoxy-2-methylbutanamide?
The InChIKey is OLHIHAZDORIZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-5-9(10-13-7-8-14-10)15-11(16)12(3,6-2)17-4/h7-9H,5-6H2,1-4H3,(H,13,14)(H,15,16).
What are the key properties of N-[1-(1H-imidazol-2-yl)propyl]-2-methoxy-2-methylbutanamide?
N-[1-(1H-imidazol-2-yl)propyl]-2-methoxy-2-methylbutanamide has a molecular weight of 239.32 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-imidazol-2-yl)propyl]-2-methoxy-2-methylbutanamide is sourced from PubChem (CID 114105991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).