3-(1H-benzimidazol-2-yl)-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]propanamide

C20H30N4O2 — CID 29300413

IUPAC3-(1H-benzimidazol-2-yl)-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]propanamide
SMILESC[C@H]1CN(C(C)(C)CNC(=O)CCc2nc3ccccc3[nH]2)C[C@H](C)O1
InChIInChI=1S/C20H30N4O2/c1-14-11-24(12-15(2)26-14)20(3,4)13-21-19(25)10-9-18-22-16-7-5-6-8-17(16)23-18/h5-8,14-15H,9-13H2,1-4H3,(H,21,25)(H,22,23)/t14-,15-/m0/s1
InChIKeyAMCUGEANMNXYQB-GJZGRUSLSA-N
MW358.49 g/mol
LogP2.50
Rot. Bonds6

About 3-(1H-benzimidazol-2-yl)-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]propanamide

3-(1H-benzimidazol-2-yl)-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]propanamide (PubChem CID 29300413) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]propanamide.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]propanamide
PubChem CID29300413
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC Name3-(1H-benzimidazol-2-yl)-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]propanamide
SMILESC[C@H]1CN(C(C)(C)CNC(=O)CCc2nc3ccccc3[nH]2)C[C@H](C)O1
InChIInChI=1S/C20H30N4O2/c1-14-11-24(12-15(2)26-14)20(3,4)13-21-19(25)10-9-18-22-16-7-5-6-8-17(16)23-18/h5-8,14-15H,9-13H2,1-4H3,(H,21,25)(H,22,23)/t14-,15-/m0/s1
InChIKeyAMCUGEANMNXYQB-GJZGRUSLSA-N
XLogP2.50
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(1H-benzimidazol-2-yl)propanoylamino]-2-hydroxy-2-methylpropanoic acid
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N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]propanamide?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]propanamide (CID 29300413) is 3-(1H-benzimidazol-2-yl)-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]propanamide.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]propanamide?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]propanamide is C[C@H]1CN(C(C)(C)CNC(=O)CCc2nc3ccccc3[nH]2)C[C@H](C)O1.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]propanamide?
The InChIKey is AMCUGEANMNXYQB-GJZGRUSLSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-14-11-24(12-15(2)26-14)20(3,4)13-21-19(25)10-9-18-22-16-7-5-6-8-17(16)23-18/h5-8,14-15H,9-13H2,1-4H3,(H,21,25)(H,22,23)/t14-,15-/m0/s1.
What are the key properties of 3-(1H-benzimidazol-2-yl)-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]propanamide?
3-(1H-benzimidazol-2-yl)-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]propanamide has a molecular weight of 358.49 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]propanamide is sourced from PubChem (CID 29300413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).