4-amino-3-methoxy-N-[1-(2-methylpropyl)imidazol-2-yl]butanamide;hydrochloride

C12H23ClN4O2 — CID 120590996

IUPAC4-amino-3-methoxy-N-[1-(2-methylpropyl)imidazol-2-yl]butanamide;hydrochloride
SMILESCOC(CN)CC(=O)Nc1nccn1CC(C)C.Cl
InChIInChI=1S/C12H22N4O2.ClH/c1-9(2)8-16-5-4-14-12(16)15-11(17)6-10(7-13)18-3;/h4-5,9-10H,6-8,13H2,1-3H3,(H,14,15,17);1H
InChIKeyNGHQZVFJZZTRFQ-UHFFFAOYSA-N
MW290.80 g/mol
LogP1.26
Rot. Bonds7

About 4-amino-3-methoxy-N-[1-(2-methylpropyl)imidazol-2-yl]butanamide;hydrochloride

4-amino-3-methoxy-N-[1-(2-methylpropyl)imidazol-2-yl]butanamide;hydrochloride (PubChem CID 120590996) has the molecular formula C12H23ClN4O2 and a molecular weight of 290.80 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-[1-(2-methylpropyl)imidazol-2-yl]butanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-3-methoxy-N-[1-(2-methylpropyl)imidazol-2-yl]butanamide;hydrochloride
PubChem CID120590996
Molecular FormulaC12H23ClN4O2
Molecular Weight290.80 g/mol
Exact Mass290.15
IUPAC Name4-amino-3-methoxy-N-[1-(2-methylpropyl)imidazol-2-yl]butanamide;hydrochloride
SMILESCOC(CN)CC(=O)Nc1nccn1CC(C)C.Cl
InChIInChI=1S/C12H22N4O2.ClH/c1-9(2)8-16-5-4-14-12(16)15-11(17)6-10(7-13)18-3;/h4-5,9-10H,6-8,13H2,1-3H3,(H,14,15,17);1H
InChIKeyNGHQZVFJZZTRFQ-UHFFFAOYSA-N
XLogP1.26
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.80
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-amino-N-[1-(2-methylpropyl)imidazol-2-yl]heptanamide;hydrochloride
CID 119762492
4-(methylamino)-N-[1-(2-methylpropyl)imidazol-2-yl]butanamide
CID 119762499
4-amino-3-methoxy-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]butanamide;dihydrochloride
CID 120595717
4-amino-3-methoxy-N-[4-(triazol-2-yl)phenyl]butanamide;hydrochloride
CID 120589330
4-amino-3-methoxy-N-(4-pyrazol-1-ylphenyl)butanamide;hydrochloride
CID 120587813
4-amino-3-methoxy-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]butanamide;hydrochloride
CID 120587660
4-amino-3-methoxy-N-(2-pyrazol-1-ylphenyl)butanamide;hydrochloride
CID 120586313
6-amino-N-[1-(2-methylpropyl)imidazol-2-yl]pyridine-2-carboxamide;hydrochloride
CID 119999079
N-(2-methoxypropyl)-1-(2-methylpropyl)imidazol-2-amine
CID 106583435
4-amino-3-methoxy-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]butanamide;dihydrochloride
CID 120597422
4-amino-3-methoxy-N-(6-pyrazol-1-yl-3-pyridinyl)butanamide
CID 103154657
4-amino-N-(4-hydroxyphenyl)-3-methoxybutanamide
CID 103154769

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-[1-(2-methylpropyl)imidazol-2-yl]butanamide;hydrochloride?
The IUPAC name of 4-amino-3-methoxy-N-[1-(2-methylpropyl)imidazol-2-yl]butanamide;hydrochloride (CID 120590996) is 4-amino-3-methoxy-N-[1-(2-methylpropyl)imidazol-2-yl]butanamide;hydrochloride.
What is the SMILES notation for 4-amino-3-methoxy-N-[1-(2-methylpropyl)imidazol-2-yl]butanamide;hydrochloride?
The canonical SMILES for 4-amino-3-methoxy-N-[1-(2-methylpropyl)imidazol-2-yl]butanamide;hydrochloride is COC(CN)CC(=O)Nc1nccn1CC(C)C.Cl.
What is the InChIKey of 4-amino-3-methoxy-N-[1-(2-methylpropyl)imidazol-2-yl]butanamide;hydrochloride?
The InChIKey is NGHQZVFJZZTRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2.ClH/c1-9(2)8-16-5-4-14-12(16)15-11(17)6-10(7-13)18-3;/h4-5,9-10H,6-8,13H2,1-3H3,(H,14,15,17);1H.
What are the key properties of 4-amino-3-methoxy-N-[1-(2-methylpropyl)imidazol-2-yl]butanamide;hydrochloride?
4-amino-3-methoxy-N-[1-(2-methylpropyl)imidazol-2-yl]butanamide;hydrochloride has a molecular weight of 290.80 g/mol, XLogP of 1.26, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-[1-(2-methylpropyl)imidazol-2-yl]butanamide;hydrochloride is sourced from PubChem (CID 120590996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).