N-[2-[[(2S)-3-(cyclopenten-1-yl)-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-2-[(2-morpholin-4-ylacetyl)amino]propanamide

C22H34N4O6 — CID 144719378

About N-[2-[[(2S)-3-(cyclopenten-1-yl)-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-2-[(2-morpholin-4-ylacetyl)amino]propanamide

N-[2-[[(2S)-3-(cyclopenten-1-yl)-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-2-[(2-morpholin-4-ylacetyl)amino]propanamide (PubChem CID 144719378) has the molecular formula C22H34N4O6 and a molecular weight of 450.54 g/mol. Its IUPAC name is N-[2-[[(2S)-3-(cyclopenten-1-yl)-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-2-[(2-morpholin-4-ylacetyl)amino]propanamide.

Molecular Properties

• Compound Name: N-[2-[[(2S)-3-(cyclopenten-1-yl)-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-2-[(2-morpholin-4-ylacetyl)amino]propanamide
• PubChem CID: 144719378
• Molecular Formula: C22H34N4O6
• Molecular Weight: 450.54 g/mol
• Exact Mass: 450.25
• IUPAC Name: N-[2-[[(2S)-3-(cyclopenten-1-yl)-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-2-[(2-morpholin-4-ylacetyl)amino]propanamide
• SMILES: CC(NC(=O)CN1CCOCC1)C(=O)NCC(=O)N[C@@H](CC1=CCCC1)C(=O)C1(C)CO1
• InChI: InChI=1S/C22H34N4O6/c1-15(24-19(28)13-26-7-9-31-10-8-26)21(30)23-12-18(27)25-17(11-16-5-3-4-6-16)20(29)22(2)14-32-22/h5,15,17H,3-4,6-14H2,1-2H3,(H,23,30)(H,24,28)(H,25,27)/t15?,17-,22?/m0/s1
• InChIKey: MYCSQKISIGPMPV-YSJWXEPDSA-N
• XLogP: -0.72
• TPSA: 129.37 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	450.54
LogP ≤ 5	-0.72
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2S)-3-(cyclopenten-1-yl)-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-2-[(2-morpholin-4-ylacetyl)amino]propanamide?

The IUPAC name of N-[2-[[(2S)-3-(cyclopenten-1-yl)-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-2-[(2-morpholin-4-ylacetyl)amino]propanamide (CID 144719378) is N-[2-[[(2S)-3-(cyclopenten-1-yl)-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-2-[(2-morpholin-4-ylacetyl)amino]propanamide.

What is the SMILES notation for N-[2-[[(2S)-3-(cyclopenten-1-yl)-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-2-[(2-morpholin-4-ylacetyl)amino]propanamide?

The canonical SMILES for N-[2-[[(2S)-3-(cyclopenten-1-yl)-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-2-[(2-morpholin-4-ylacetyl)amino]propanamide is CC(NC(=O)CN1CCOCC1)C(=O)NCC(=O)N[C@@H](CC1=CCCC1)C(=O)C1(C)CO1.

What is the InChIKey of N-[2-[[(2S)-3-(cyclopenten-1-yl)-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-2-[(2-morpholin-4-ylacetyl)amino]propanamide?

The InChIKey is MYCSQKISIGPMPV-YSJWXEPDSA-N. The full InChI is InChI=1S/C22H34N4O6/c1-15(24-19(28)13-26-7-9-31-10-8-26)21(30)23-12-18(27)25-17(11-16-5-3-4-6-16)20(29)22(2)14-32-22/h5,15,17H,3-4,6-14H2,1-2H3,(H,23,30)(H,24,28)(H,25,27)/t15?,17-,22?/m0/s1.

What are the key properties of N-[2-[[(2S)-3-(cyclopenten-1-yl)-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-2-[(2-morpholin-4-ylacetyl)amino]propanamide?

N-[2-[[(2S)-3-(cyclopenten-1-yl)-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-2-[(2-morpholin-4-ylacetyl)amino]propanamide has a molecular weight of 450.54 g/mol, XLogP of -0.72, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[(2S)-3-(cyclopenten-1-yl)-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-2-[(2-morpholin-4-ylacetyl)amino]propanamide is sourced from PubChem (CID 144719378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).