benzyl N-[(2S,3S)-1-[4-[2-(ethylamino)-2-oxoethoxy]anilino]-3-methyl-1-oxopentan-2-yl]carbamate

C24H31N3O5 — CID 32936476

About benzyl N-[(2S,3S)-1-[4-[2-(ethylamino)-2-oxoethoxy]anilino]-3-methyl-1-oxopentan-2-yl]carbamate

benzyl N-[(2S,3S)-1-[4-[2-(ethylamino)-2-oxoethoxy]anilino]-3-methyl-1-oxopentan-2-yl]carbamate (PubChem CID 32936476) has the molecular formula C24H31N3O5 and a molecular weight of 441.53 g/mol. Its IUPAC name is benzyl N-[(2S,3S)-1-[4-[2-(ethylamino)-2-oxoethoxy]anilino]-3-methyl-1-oxopentan-2-yl]carbamate.

Molecular Properties

• Compound Name: benzyl N-[(2S,3S)-1-[4-[2-(ethylamino)-2-oxoethoxy]anilino]-3-methyl-1-oxopentan-2-yl]carbamate
• PubChem CID: 32936476
• Molecular Formula: C24H31N3O5
• Molecular Weight: 441.53 g/mol
• Exact Mass: 441.23
• IUPAC Name: benzyl N-[(2S,3S)-1-[4-[2-(ethylamino)-2-oxoethoxy]anilino]-3-methyl-1-oxopentan-2-yl]carbamate
• SMILES: CCNC(=O)COc1ccc(NC(=O)[C@@H](NC(=O)OCc2ccccc2)[C@@H](C)CC)cc1
• InChI: InChI=1S/C24H31N3O5/c1-4-17(3)22(27-24(30)32-15-18-9-7-6-8-10-18)23(29)26-19-11-13-20(14-12-19)31-16-21(28)25-5-2/h6-14,17,22H,4-5,15-16H2,1-3H3,(H,25,28)(H,26,29)(H,27,30)/t17-,22-/m0/s1
• InChIKey: ZPYHJRSSPMQRFE-JTSKRJEESA-N
• XLogP: 3.48
• TPSA: 105.76 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.53
LogP ≤ 5	3.48
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2S,3S)-1-[4-[2-(ethylamino)-2-oxoethoxy]anilino]-3-methyl-1-oxopentan-2-yl]carbamate?

The IUPAC name of benzyl N-[(2S,3S)-1-[4-[2-(ethylamino)-2-oxoethoxy]anilino]-3-methyl-1-oxopentan-2-yl]carbamate (CID 32936476) is benzyl N-[(2S,3S)-1-[4-[2-(ethylamino)-2-oxoethoxy]anilino]-3-methyl-1-oxopentan-2-yl]carbamate.

What is the SMILES notation for benzyl N-[(2S,3S)-1-[4-[2-(ethylamino)-2-oxoethoxy]anilino]-3-methyl-1-oxopentan-2-yl]carbamate?

The canonical SMILES for benzyl N-[(2S,3S)-1-[4-[2-(ethylamino)-2-oxoethoxy]anilino]-3-methyl-1-oxopentan-2-yl]carbamate is CCNC(=O)COc1ccc(NC(=O)[C@@H](NC(=O)OCc2ccccc2)[C@@H](C)CC)cc1.

What is the InChIKey of benzyl N-[(2S,3S)-1-[4-[2-(ethylamino)-2-oxoethoxy]anilino]-3-methyl-1-oxopentan-2-yl]carbamate?

The InChIKey is ZPYHJRSSPMQRFE-JTSKRJEESA-N. The full InChI is InChI=1S/C24H31N3O5/c1-4-17(3)22(27-24(30)32-15-18-9-7-6-8-10-18)23(29)26-19-11-13-20(14-12-19)31-16-21(28)25-5-2/h6-14,17,22H,4-5,15-16H2,1-3H3,(H,25,28)(H,26,29)(H,27,30)/t17-,22-/m0/s1.

What are the key properties of benzyl N-[(2S,3S)-1-[4-[2-(ethylamino)-2-oxoethoxy]anilino]-3-methyl-1-oxopentan-2-yl]carbamate?

benzyl N-[(2S,3S)-1-[4-[2-(ethylamino)-2-oxoethoxy]anilino]-3-methyl-1-oxopentan-2-yl]carbamate has a molecular weight of 441.53 g/mol, XLogP of 3.48, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl N-[(2S,3S)-1-[4-[2-(ethylamino)-2-oxoethoxy]anilino]-3-methyl-1-oxopentan-2-yl]carbamate is sourced from PubChem (CID 32936476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).