(2S)-2-acetamido-4-methyl-N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]pentanamide

C19H26N4O2 — CID 131908048

IUPAC(2S)-2-acetamido-4-methyl-N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]pentanamide
SMILESCC(=O)N[C@@H](CC(C)C)C(=O)Nc1ccccc1Cn1ccnc1C
InChIInChI=1S/C19H26N4O2/c1-13(2)11-18(21-15(4)24)19(25)22-17-8-6-5-7-16(17)12-23-10-9-20-14(23)3/h5-10,13,18H,11-12H2,1-4H3,(H,21,24)(H,22,25)/t18-/m0/s1
InChIKeyVMLQAAIVSIBDAF-SFHVURJKSA-N
MW342.44 g/mol
LogP2.73
Rot. Bonds7

About (2S)-2-acetamido-4-methyl-N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]pentanamide

(2S)-2-acetamido-4-methyl-N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]pentanamide (PubChem CID 131908048) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is (2S)-2-acetamido-4-methyl-N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-acetamido-4-methyl-N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]pentanamide
PubChem CID131908048
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name(2S)-2-acetamido-4-methyl-N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]pentanamide
SMILESCC(=O)N[C@@H](CC(C)C)C(=O)Nc1ccccc1Cn1ccnc1C
InChIInChI=1S/C19H26N4O2/c1-13(2)11-18(21-15(4)24)19(25)22-17-8-6-5-7-16(17)12-23-10-9-20-14(23)3/h5-10,13,18H,11-12H2,1-4H3,(H,21,24)(H,22,25)/t18-/m0/s1
InChIKeyVMLQAAIVSIBDAF-SFHVURJKSA-N
XLogP2.73
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]propanamide;dihydrochloride
CID 154912858
N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-3-propan-2-yloxybenzamide
CID 131905021
N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-4-pyrazol-1-ylbenzamide
CID 131899424
(2S)-N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]piperidine-2-carboxamide
CID 131930636
(5S)-3-(2-fluorophenyl)-5-methyl-N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-4H-1,2-oxazole-5-carboxamide
CID 92613682
3-(2-fluorophenyl)-5-methyl-N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-4H-1,2-oxazole-5-carboxamide
CID 46977659
(5R)-3-(2-fluorophenyl)-5-methyl-N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-4H-1,2-oxazole-5-carboxamide
CID 92613681
2-[2-[(2-methylimidazol-1-yl)methyl]phenyl]acetamide
CID 146841548
N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 131932897
N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 131908904
(2S)-N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]morpholine-2-carboxamide
CID 95896960
N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-4-(pyridin-2-ylsulfanylmethyl)benzamide
CID 131940335

Frequently Asked Questions

What is the IUPAC name of (2S)-2-acetamido-4-methyl-N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]pentanamide?
The IUPAC name of (2S)-2-acetamido-4-methyl-N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]pentanamide (CID 131908048) is (2S)-2-acetamido-4-methyl-N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]pentanamide.
What is the SMILES notation for (2S)-2-acetamido-4-methyl-N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]pentanamide?
The canonical SMILES for (2S)-2-acetamido-4-methyl-N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]pentanamide is CC(=O)N[C@@H](CC(C)C)C(=O)Nc1ccccc1Cn1ccnc1C.
What is the InChIKey of (2S)-2-acetamido-4-methyl-N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]pentanamide?
The InChIKey is VMLQAAIVSIBDAF-SFHVURJKSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-13(2)11-18(21-15(4)24)19(25)22-17-8-6-5-7-16(17)12-23-10-9-20-14(23)3/h5-10,13,18H,11-12H2,1-4H3,(H,21,24)(H,22,25)/t18-/m0/s1.
What are the key properties of (2S)-2-acetamido-4-methyl-N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]pentanamide?
(2S)-2-acetamido-4-methyl-N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]pentanamide has a molecular weight of 342.44 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-acetamido-4-methyl-N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]pentanamide is sourced from PubChem (CID 131908048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).