(2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide;dihydrochloride

C19H29Cl2N5O2 — CID 119726698

About (2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide;dihydrochloride

(2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide;dihydrochloride (PubChem CID 119726698) has the molecular formula C19H29Cl2N5O2 and a molecular weight of 430.38 g/mol. Its IUPAC name is (2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide;dihydrochloride.

Molecular Properties

• Compound Name: (2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide;dihydrochloride
• PubChem CID: 119726698
• Molecular Formula: C19H29Cl2N5O2
• Molecular Weight: 430.38 g/mol
• Exact Mass: 429.17
• IUPAC Name: (2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide;dihydrochloride
• SMILES: CCNC(=O)CN(CC)C(=O)[C@@H](N)Cc1cn(Cc2ccccc2)cn1.Cl.Cl
• InChI: InChI=1S/C19H27N5O2.2ClH/c1-3-21-18(25)13-24(4-2)19(26)17(20)10-16-12-23(14-22-16)11-15-8-6-5-7-9-15;;/h5-9,12,14,17H,3-4,10-11,13,20H2,1-2H3,(H,21,25);2*1H/t17-;;/m0../s1
• InChIKey: VADMKGVSGLSVND-RMRYJAPISA-N
• XLogP: 1.63
• TPSA: 93.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.38
LogP ≤ 5	1.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide;dihydrochloride?

The IUPAC name of (2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide;dihydrochloride (CID 119726698) is (2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide;dihydrochloride.

What is the SMILES notation for (2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide;dihydrochloride?

The canonical SMILES for (2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide;dihydrochloride is CCNC(=O)CN(CC)C(=O)[C@@H](N)Cc1cn(Cc2ccccc2)cn1.Cl.Cl.

What is the InChIKey of (2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide;dihydrochloride?

The InChIKey is VADMKGVSGLSVND-RMRYJAPISA-N. The full InChI is InChI=1S/C19H27N5O2.2ClH/c1-3-21-18(25)13-24(4-2)19(26)17(20)10-16-12-23(14-22-16)11-15-8-6-5-7-9-15;;/h5-9,12,14,17H,3-4,10-11,13,20H2,1-2H3,(H,21,25);2*1H/t17-;;/m0../s1.

What are the key properties of (2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide;dihydrochloride?

(2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide;dihydrochloride has a molecular weight of 430.38 g/mol, XLogP of 1.63, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide;dihydrochloride is sourced from PubChem (CID 119726698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).