4-amino-3-methoxy-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]butanamide;dihydrochloride

C18H28Cl2N4O2 — CID 120597418

IUPAC4-amino-3-methoxy-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]butanamide;dihydrochloride
SMILESCOC(CN)CC(=O)NCc1nccn1CCCc1ccccc1.Cl.Cl
InChIInChI=1S/C18H26N4O2.2ClH/c1-24-16(13-19)12-18(23)21-14-17-20-9-11-22(17)10-5-8-15-6-3-2-4-7-15;;/h2-4,6-7,9,11,16H,5,8,10,12-14,19H2,1H3,(H,21,23);2*1H
InChIKeyKZWREBVDOHNPQA-UHFFFAOYSA-N
MW403.35 g/mol
LogP2.34
Rot. Bonds10

About 4-amino-3-methoxy-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]butanamide;dihydrochloride

4-amino-3-methoxy-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]butanamide;dihydrochloride (PubChem CID 120597418) has the molecular formula C18H28Cl2N4O2 and a molecular weight of 403.35 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]butanamide;dihydrochloride.

Molecular Properties

Compound Name4-amino-3-methoxy-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]butanamide;dihydrochloride
PubChem CID120597418
Molecular FormulaC18H28Cl2N4O2
Molecular Weight403.35 g/mol
Exact Mass402.16
IUPAC Name4-amino-3-methoxy-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]butanamide;dihydrochloride
SMILESCOC(CN)CC(=O)NCc1nccn1CCCc1ccccc1.Cl.Cl
InChIInChI=1S/C18H26N4O2.2ClH/c1-24-16(13-19)12-18(23)21-14-17-20-9-11-22(17)10-5-8-15-6-3-2-4-7-15;;/h2-4,6-7,9,11,16H,5,8,10,12-14,19H2,1H3,(H,21,23);2*1H
InChIKeyKZWREBVDOHNPQA-UHFFFAOYSA-N
XLogP2.34
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.35
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-3-methoxy-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]butanamide;dihydrochloride
CID 120597422
2-amino-2-methyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]propanamide;dihydrochloride
CID 119898590
3-(2-aminophenyl)-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]propanamide;dihydrochloride
CID 120613454
1-(2-hydroxyethoxy)-3-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]urea
CID 154766739
N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]pyrrolidine-1-carboxamide
CID 71975541
2-(cyclopropylmethylamino)-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]acetamide;dihydrochloride
CID 119898678
2-(2-aminoethyl)-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120647670
1-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]-3-(pyridin-3-ylmethyl)urea
CID 71923566
4-amino-N-[2-(benzylamino)-2-oxoethyl]-3-methoxybutanamide
CID 103155317
2-methyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]propan-2-amine
CID 62221649
N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]-1,3-thiazole-4-carboxamide
CID 71975235
3,5-dimethyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]-1,2-oxazole-4-carboxamide
CID 71975236

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]butanamide;dihydrochloride?
The IUPAC name of 4-amino-3-methoxy-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]butanamide;dihydrochloride (CID 120597418) is 4-amino-3-methoxy-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]butanamide;dihydrochloride.
What is the SMILES notation for 4-amino-3-methoxy-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]butanamide;dihydrochloride?
The canonical SMILES for 4-amino-3-methoxy-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]butanamide;dihydrochloride is COC(CN)CC(=O)NCc1nccn1CCCc1ccccc1.Cl.Cl.
What is the InChIKey of 4-amino-3-methoxy-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]butanamide;dihydrochloride?
The InChIKey is KZWREBVDOHNPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2.2ClH/c1-24-16(13-19)12-18(23)21-14-17-20-9-11-22(17)10-5-8-15-6-3-2-4-7-15;;/h2-4,6-7,9,11,16H,5,8,10,12-14,19H2,1H3,(H,21,23);2*1H.
What are the key properties of 4-amino-3-methoxy-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]butanamide;dihydrochloride?
4-amino-3-methoxy-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]butanamide;dihydrochloride has a molecular weight of 403.35 g/mol, XLogP of 2.34, 10 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-(3-phenylpropyl)imidazol-2-yl]methyl]butanamide;dihydrochloride is sourced from PubChem (CID 120597418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).