(2R)-2-amino-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]propanamide;dihydrochloride

C16H24Cl2N4O — CID 119855817

IUPAC(2R)-2-amino-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]propanamide;dihydrochloride
SMILESCC(C)c1nccn1Cc1cccc(NC(=O)[C@@H](C)N)c1.Cl.Cl
InChIInChI=1S/C16H22N4O.2ClH/c1-11(2)15-18-7-8-20(15)10-13-5-4-6-14(9-13)19-16(21)12(3)17;;/h4-9,11-12H,10,17H2,1-3H3,(H,19,21);2*1H/t12-;;/m1../s1
InChIKeyPZOIHZXIOZTWLS-CURYUGHLSA-N
MW359.30 g/mol
LogP3.18
Rot. Bonds5

About (2R)-2-amino-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]propanamide;dihydrochloride

(2R)-2-amino-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]propanamide;dihydrochloride (PubChem CID 119855817) has the molecular formula C16H24Cl2N4O and a molecular weight of 359.30 g/mol. Its IUPAC name is (2R)-2-amino-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]propanamide;dihydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]propanamide;dihydrochloride
PubChem CID119855817
Molecular FormulaC16H24Cl2N4O
Molecular Weight359.30 g/mol
Exact Mass358.13
IUPAC Name(2R)-2-amino-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]propanamide;dihydrochloride
SMILESCC(C)c1nccn1Cc1cccc(NC(=O)[C@@H](C)N)c1.Cl.Cl
InChIInChI=1S/C16H22N4O.2ClH/c1-11(2)15-18-7-8-20(15)10-13-5-4-6-14(9-13)19-16(21)12(3)17;;/h4-9,11-12H,10,17H2,1-3H3,(H,19,21);2*1H/t12-;;/m1../s1
InChIKeyPZOIHZXIOZTWLS-CURYUGHLSA-N
XLogP3.18
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.30
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-4-methyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]pentanamide
CID 119855852
2-(methylamino)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetamide
CID 120703872
N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]naphthalene-1-carboxamide
CID 55858949
2-(2-methoxyethylamino)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetamide;dihydrochloride
CID 119855845
N-[1-oxo-1-[3-[(2-propan-2-ylimidazol-1-yl)methyl]anilino]propan-2-yl]furan-3-carboxamide
CID 55859737
3-(4-fluorophenyl)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]propanamide
CID 55858307
2-(1-hydroxycyclopentyl)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetamide
CID 111430663
(3R)-3-hydroxy-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]pyrrolidine-1-carboxamide
CID 111431403
2-amino-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 43697329
2,4-dichloro-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]benzamide
CID 55859713
1-tert-butyl-5-propan-2-yl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]pyrazole-3-carboxamide
CID 55859731
2-cyclopentyloxy-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetamide
CID 47059184

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]propanamide;dihydrochloride?
The IUPAC name of (2R)-2-amino-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]propanamide;dihydrochloride (CID 119855817) is (2R)-2-amino-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]propanamide;dihydrochloride.
What is the SMILES notation for (2R)-2-amino-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]propanamide;dihydrochloride?
The canonical SMILES for (2R)-2-amino-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]propanamide;dihydrochloride is CC(C)c1nccn1Cc1cccc(NC(=O)[C@@H](C)N)c1.Cl.Cl.
What is the InChIKey of (2R)-2-amino-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]propanamide;dihydrochloride?
The InChIKey is PZOIHZXIOZTWLS-CURYUGHLSA-N. The full InChI is InChI=1S/C16H22N4O.2ClH/c1-11(2)15-18-7-8-20(15)10-13-5-4-6-14(9-13)19-16(21)12(3)17;;/h4-9,11-12H,10,17H2,1-3H3,(H,19,21);2*1H/t12-;;/m1../s1.
What are the key properties of (2R)-2-amino-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]propanamide;dihydrochloride?
(2R)-2-amino-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]propanamide;dihydrochloride has a molecular weight of 359.30 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]propanamide;dihydrochloride is sourced from PubChem (CID 119855817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).