3-amino-N-[2-(2-imidazol-1-ylethoxy)phenyl]-2-methylbutanamide;dihydrochloride

C16H24Cl2N4O2 — CID 120503297

IUPAC3-amino-N-[2-(2-imidazol-1-ylethoxy)phenyl]-2-methylbutanamide;dihydrochloride
SMILESCC(N)C(C)C(=O)Nc1ccccc1OCCn1ccnc1.Cl.Cl
InChIInChI=1S/C16H22N4O2.2ClH/c1-12(13(2)17)16(21)19-14-5-3-4-6-15(14)22-10-9-20-8-7-18-11-20;;/h3-8,11-13H,9-10,17H2,1-2H3,(H,19,21);2*1H
InChIKeyFPFLIULEJKFIFI-UHFFFAOYSA-N
MW375.30 g/mol
LogP2.73
Rot. Bonds7

About 3-amino-N-[2-(2-imidazol-1-ylethoxy)phenyl]-2-methylbutanamide;dihydrochloride

3-amino-N-[2-(2-imidazol-1-ylethoxy)phenyl]-2-methylbutanamide;dihydrochloride (PubChem CID 120503297) has the molecular formula C16H24Cl2N4O2 and a molecular weight of 375.30 g/mol. Its IUPAC name is 3-amino-N-[2-(2-imidazol-1-ylethoxy)phenyl]-2-methylbutanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-(2-imidazol-1-ylethoxy)phenyl]-2-methylbutanamide;dihydrochloride
PubChem CID120503297
Molecular FormulaC16H24Cl2N4O2
Molecular Weight375.30 g/mol
Exact Mass374.13
IUPAC Name3-amino-N-[2-(2-imidazol-1-ylethoxy)phenyl]-2-methylbutanamide;dihydrochloride
SMILESCC(N)C(C)C(=O)Nc1ccccc1OCCn1ccnc1.Cl.Cl
InChIInChI=1S/C16H22N4O2.2ClH/c1-12(13(2)17)16(21)19-14-5-3-4-6-15(14)22-10-9-20-8-7-18-11-20;;/h3-8,11-13H,9-10,17H2,1-2H3,(H,19,21);2*1H
InChIKeyFPFLIULEJKFIFI-UHFFFAOYSA-N
XLogP2.73
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.30
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-amino-N-[2-(2-imidazol-1-ylethoxy)phenyl]-2-methylbutanamide;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[benzyl(methyl)amino]-N-[2-(2-imidazol-1-ylethoxy)phenyl]butanamide
CID 124721834
1-[2-(2-imidazol-1-ylethoxy)phenyl]ethanamine
CID 60878818
1-[2-(2-imidazol-1-ylethoxy)phenyl]-3-thiophen-3-ylurea
CID 99833540
2-(cyclopropylmethylamino)-N-[2-(2-imidazol-1-ylethoxy)phenyl]acetamide;dihydrochloride
CID 119862195
N-[2-(2-imidazol-1-ylethoxy)phenyl]-4-phenylbenzamide
CID 47789751
N-[2-(2-imidazol-1-ylethoxy)phenyl]-2-(trifluoromethylsulfanyl)acetamide
CID 47789441
(E)-3-(4-fluorophenyl)-N-[2-(2-imidazol-1-ylethoxy)phenyl]prop-2-enamide
CID 47789776
1-[(2S)-1-imidazol-1-ylpropan-2-yl]-3-[2-(2-methylpropoxy)phenyl]urea
CID 94166237
1-[2-(2-imidazol-1-ylethoxy)phenyl]-3-[1-(methoxymethyl)cyclobutyl]urea
CID 131961558
(E)-N-[2-(2-imidazol-1-ylethoxy)phenyl]-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide
CID 166192411
(E)-N-[2-(2-imidazol-1-ylethoxy)phenyl]-3-thiophen-3-ylprop-2-enamide
CID 51094332
3-(2-bromophenyl)sulfanyl-N-[2-(2-imidazol-1-ylethoxy)phenyl]propanamide
CID 60586152

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(2-imidazol-1-ylethoxy)phenyl]-2-methylbutanamide;dihydrochloride?
The IUPAC name of 3-amino-N-[2-(2-imidazol-1-ylethoxy)phenyl]-2-methylbutanamide;dihydrochloride (CID 120503297) is 3-amino-N-[2-(2-imidazol-1-ylethoxy)phenyl]-2-methylbutanamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[2-(2-imidazol-1-ylethoxy)phenyl]-2-methylbutanamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[2-(2-imidazol-1-ylethoxy)phenyl]-2-methylbutanamide;dihydrochloride is CC(N)C(C)C(=O)Nc1ccccc1OCCn1ccnc1.Cl.Cl.
What is the InChIKey of 3-amino-N-[2-(2-imidazol-1-ylethoxy)phenyl]-2-methylbutanamide;dihydrochloride?
The InChIKey is FPFLIULEJKFIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2.2ClH/c1-12(13(2)17)16(21)19-14-5-3-4-6-15(14)22-10-9-20-8-7-18-11-20;;/h3-8,11-13H,9-10,17H2,1-2H3,(H,19,21);2*1H.
What are the key properties of 3-amino-N-[2-(2-imidazol-1-ylethoxy)phenyl]-2-methylbutanamide;dihydrochloride?
3-amino-N-[2-(2-imidazol-1-ylethoxy)phenyl]-2-methylbutanamide;dihydrochloride has a molecular weight of 375.30 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(2-imidazol-1-ylethoxy)phenyl]-2-methylbutanamide;dihydrochloride is sourced from PubChem (CID 120503297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).