N-[[5-(3-hydroxy-5-methylphenyl)-1H-imidazol-2-yl]methyl]-3-methyl-2-(methylamino)-N-propylbutanamide

C20H30N4O2 — CID 144668674

IUPACN-[[5-(3-hydroxy-5-methylphenyl)-1H-imidazol-2-yl]methyl]-3-methyl-2-(methylamino)-N-propylbutanamide
SMILESCCCN(Cc1ncc(-c2cc(C)cc(O)c2)[nH]1)C(=O)C(NC)C(C)C
InChIInChI=1S/C20H30N4O2/c1-6-7-24(20(26)19(21-5)13(2)3)12-18-22-11-17(23-18)15-8-14(4)9-16(25)10-15/h8-11,13,19,21,25H,6-7,12H2,1-5H3,(H,22,23)
InChIKeyZTMPRXPLOCCLBW-UHFFFAOYSA-N
MW358.49 g/mol
LogP3.07
Rot. Bonds8

About N-[[5-(3-hydroxy-5-methylphenyl)-1H-imidazol-2-yl]methyl]-3-methyl-2-(methylamino)-N-propylbutanamide

N-[[5-(3-hydroxy-5-methylphenyl)-1H-imidazol-2-yl]methyl]-3-methyl-2-(methylamino)-N-propylbutanamide (PubChem CID 144668674) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is N-[[5-(3-hydroxy-5-methylphenyl)-1H-imidazol-2-yl]methyl]-3-methyl-2-(methylamino)-N-propylbutanamide.

Molecular Properties

Compound NameN-[[5-(3-hydroxy-5-methylphenyl)-1H-imidazol-2-yl]methyl]-3-methyl-2-(methylamino)-N-propylbutanamide
PubChem CID144668674
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC NameN-[[5-(3-hydroxy-5-methylphenyl)-1H-imidazol-2-yl]methyl]-3-methyl-2-(methylamino)-N-propylbutanamide
SMILESCCCN(Cc1ncc(-c2cc(C)cc(O)c2)[nH]1)C(=O)C(NC)C(C)C
InChIInChI=1S/C20H30N4O2/c1-6-7-24(20(26)19(21-5)13(2)3)12-18-22-11-17(23-18)15-8-14(4)9-16(25)10-15/h8-11,13,19,21,25H,6-7,12H2,1-5H3,(H,22,23)
InChIKeyZTMPRXPLOCCLBW-UHFFFAOYSA-N
XLogP3.07
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-hydroxy-5-methylphenyl)-1H-imidazol-2-yl]methyl]-3-methyl-2-(methylamino)-N-propylbutanamide?
The IUPAC name of N-[[5-(3-hydroxy-5-methylphenyl)-1H-imidazol-2-yl]methyl]-3-methyl-2-(methylamino)-N-propylbutanamide (CID 144668674) is N-[[5-(3-hydroxy-5-methylphenyl)-1H-imidazol-2-yl]methyl]-3-methyl-2-(methylamino)-N-propylbutanamide.
What is the SMILES notation for N-[[5-(3-hydroxy-5-methylphenyl)-1H-imidazol-2-yl]methyl]-3-methyl-2-(methylamino)-N-propylbutanamide?
The canonical SMILES for N-[[5-(3-hydroxy-5-methylphenyl)-1H-imidazol-2-yl]methyl]-3-methyl-2-(methylamino)-N-propylbutanamide is CCCN(Cc1ncc(-c2cc(C)cc(O)c2)[nH]1)C(=O)C(NC)C(C)C.
What is the InChIKey of N-[[5-(3-hydroxy-5-methylphenyl)-1H-imidazol-2-yl]methyl]-3-methyl-2-(methylamino)-N-propylbutanamide?
The InChIKey is ZTMPRXPLOCCLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-6-7-24(20(26)19(21-5)13(2)3)12-18-22-11-17(23-18)15-8-14(4)9-16(25)10-15/h8-11,13,19,21,25H,6-7,12H2,1-5H3,(H,22,23).
What are the key properties of N-[[5-(3-hydroxy-5-methylphenyl)-1H-imidazol-2-yl]methyl]-3-methyl-2-(methylamino)-N-propylbutanamide?
N-[[5-(3-hydroxy-5-methylphenyl)-1H-imidazol-2-yl]methyl]-3-methyl-2-(methylamino)-N-propylbutanamide has a molecular weight of 358.49 g/mol, XLogP of 3.07, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-hydroxy-5-methylphenyl)-1H-imidazol-2-yl]methyl]-3-methyl-2-(methylamino)-N-propylbutanamide is sourced from PubChem (CID 144668674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).