N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-2-[methyl-[(4-methylphenyl)methyl]amino]acetamide

C19H28N4O — CID 124849944

IUPACN-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-2-[methyl-[(4-methylphenyl)methyl]amino]acetamide
SMILESCc1ccc(CN(C)CC(=O)N[C@@H](c2nccn2C)C(C)C)cc1
InChIInChI=1S/C19H28N4O/c1-14(2)18(19-20-10-11-23(19)5)21-17(24)13-22(4)12-16-8-6-15(3)7-9-16/h6-11,14,18H,12-13H2,1-5H3,(H,21,24)/t18-/m1/s1
InChIKeyPSKHULBMMGZWHA-GOSISDBHSA-N
MW328.46 g/mol
LogP2.67
Rot. Bonds7

About N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-2-[methyl-[(4-methylphenyl)methyl]amino]acetamide

N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-2-[methyl-[(4-methylphenyl)methyl]amino]acetamide (PubChem CID 124849944) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-2-[methyl-[(4-methylphenyl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-2-[methyl-[(4-methylphenyl)methyl]amino]acetamide
PubChem CID124849944
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC NameN-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-2-[methyl-[(4-methylphenyl)methyl]amino]acetamide
SMILESCc1ccc(CN(C)CC(=O)N[C@@H](c2nccn2C)C(C)C)cc1
InChIInChI=1S/C19H28N4O/c1-14(2)18(19-20-10-11-23(19)5)21-17(24)13-22(4)12-16-8-6-15(3)7-9-16/h6-11,14,18H,12-13H2,1-5H3,(H,21,24)/t18-/m1/s1
InChIKeyPSKHULBMMGZWHA-GOSISDBHSA-N
XLogP2.67
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-2-[methyl-[(4-methylphenyl)methyl]amino]acetamide?
The IUPAC name of N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-2-[methyl-[(4-methylphenyl)methyl]amino]acetamide (CID 124849944) is N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-2-[methyl-[(4-methylphenyl)methyl]amino]acetamide.
What is the SMILES notation for N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-2-[methyl-[(4-methylphenyl)methyl]amino]acetamide?
The canonical SMILES for N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-2-[methyl-[(4-methylphenyl)methyl]amino]acetamide is Cc1ccc(CN(C)CC(=O)N[C@@H](c2nccn2C)C(C)C)cc1.
What is the InChIKey of N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-2-[methyl-[(4-methylphenyl)methyl]amino]acetamide?
The InChIKey is PSKHULBMMGZWHA-GOSISDBHSA-N. The full InChI is InChI=1S/C19H28N4O/c1-14(2)18(19-20-10-11-23(19)5)21-17(24)13-22(4)12-16-8-6-15(3)7-9-16/h6-11,14,18H,12-13H2,1-5H3,(H,21,24)/t18-/m1/s1.
What are the key properties of N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-2-[methyl-[(4-methylphenyl)methyl]amino]acetamide?
N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-2-[methyl-[(4-methylphenyl)methyl]amino]acetamide has a molecular weight of 328.46 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-2-[methyl-[(4-methylphenyl)methyl]amino]acetamide is sourced from PubChem (CID 124849944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).