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

C16H24Cl2N4O2 — CID 120503212

IUPAC3-amino-2-methyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]butanamide;dihydrochloride
SMILESCC(N)C(C)C(=O)Nc1ccc(OCc2nccn2C)cc1.Cl.Cl
InChIInChI=1S/C16H22N4O2.2ClH/c1-11(12(2)17)16(21)19-13-4-6-14(7-5-13)22-10-15-18-8-9-20(15)3;;/h4-9,11-12H,10,17H2,1-3H3,(H,19,21);2*1H
InChIKeyKNGSVOSVVXAEEO-UHFFFAOYSA-N
MW375.30 g/mol
LogP2.76
Rot. Bonds6

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

3-amino-2-methyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]butanamide;dihydrochloride (PubChem CID 120503212) has the molecular formula C16H24Cl2N4O2 and a molecular weight of 375.30 g/mol. Its IUPAC name is 3-amino-2-methyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]butanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-2-methyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]butanamide;dihydrochloride
PubChem CID120503212
Molecular FormulaC16H24Cl2N4O2
Molecular Weight375.30 g/mol
Exact Mass374.13
IUPAC Name3-amino-2-methyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]butanamide;dihydrochloride
SMILESCC(N)C(C)C(=O)Nc1ccc(OCc2nccn2C)cc1.Cl.Cl
InChIInChI=1S/C16H22N4O2.2ClH/c1-11(12(2)17)16(21)19-13-4-6-14(7-5-13)22-10-15-18-8-9-20(15)3;;/h4-9,11-12H,10,17H2,1-3H3,(H,19,21);2*1H
InChIKeyKNGSVOSVVXAEEO-UHFFFAOYSA-N
XLogP2.76
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.30
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-amino-2-methyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]butanamide;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

1-amino-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119858947
1-amino-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119858993
N-[4-(carbamoylamino)phenyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 55793990
methyl 4-[[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]amino]benzoate
CID 47038275
1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanamine
CID 60880506
(1S)-1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanamine
CID 78932968
4-[4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]carbamoyl]phenoxy]benzamide
CID 56548654
N-[4-(methylcarbamoylamino)phenyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 55736611
2-(cyclopropylmethylamino)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]acetamide
CID 119858982
2,2-dichloro-1-methyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]cyclopropane-1-carboxamide
CID 47045605
N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-3-(2-methylpropoxy)benzamide
CID 55766270
3-amino-2-methyl-N-[4-(3-methylbutoxy)phenyl]butanamide
CID 120501367

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]butanamide;dihydrochloride?
The IUPAC name of 3-amino-2-methyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]butanamide;dihydrochloride (CID 120503212) is 3-amino-2-methyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]butanamide;dihydrochloride.
What is the SMILES notation for 3-amino-2-methyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]butanamide;dihydrochloride?
The canonical SMILES for 3-amino-2-methyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]butanamide;dihydrochloride is CC(N)C(C)C(=O)Nc1ccc(OCc2nccn2C)cc1.Cl.Cl.
What is the InChIKey of 3-amino-2-methyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]butanamide;dihydrochloride?
The InChIKey is KNGSVOSVVXAEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2.2ClH/c1-11(12(2)17)16(21)19-13-4-6-14(7-5-13)22-10-15-18-8-9-20(15)3;;/h4-9,11-12H,10,17H2,1-3H3,(H,19,21);2*1H.
What are the key properties of 3-amino-2-methyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]butanamide;dihydrochloride?
3-amino-2-methyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]butanamide;dihydrochloride has a molecular weight of 375.30 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]butanamide;dihydrochloride is sourced from PubChem (CID 120503212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).