N-[2-[[2-[[2-(ethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]amino]-2-oxoethyl]-2-[[2-[formyl(methyl)amino]acetyl]amino]-N-methylacetamide;N-ethylpropan-2-amine;2-[[2-[[2-[formyl(methyl)amino]acetyl]amino]acetyl]-methylamino]acetic acid

C30H56N10O11 — CID 176672097

About N-[2-[[2-[[2-(ethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]amino]-2-oxoethyl]-2-[[2-[formyl(methyl)amino]acetyl]amino]-N-methylacetamide;N-ethylpropan-2-amine;2-[[2-[[2-[formyl(methyl)amino]acetyl]amino]acetyl]-methylamino]acetic acid

N-[2-[[2-[[2-(ethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]amino]-2-oxoethyl]-2-[[2-[formyl(methyl)amino]acetyl]amino]-N-methylacetamide;N-ethylpropan-2-amine;2-[[2-[[2-[formyl(methyl)amino]acetyl]amino]acetyl]-methylamino]acetic acid (PubChem CID 176672097) has the molecular formula C30H56N10O11 and a molecular weight of 732.84 g/mol. Its IUPAC name is N-[2-[[2-[[2-(ethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]amino]-2-oxoethyl]-2-[[2-[formyl(methyl)amino]acetyl]amino]-N-methylacetamide;N-ethylpropan-2-amine;2-[[2-[[2-[formyl(methyl)amino]acetyl]amino]acetyl]-methylamino]acetic acid.

Molecular Properties

• Compound Name: N-[2-[[2-[[2-(ethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]amino]-2-oxoethyl]-2-[[2-[formyl(methyl)amino]acetyl]amino]-N-methylacetamide;N-ethylpropan-2-amine;2-[[2-[[2-[formyl(methyl)amino]acetyl]amino]acetyl]-methylamino]acetic acid
• PubChem CID: 176672097
• Molecular Formula: C30H56N10O11
• Molecular Weight: 732.84 g/mol
• Exact Mass: 732.41
• IUPAC Name: N-[2-[[2-[[2-(ethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]amino]-2-oxoethyl]-2-[[2-[formyl(methyl)amino]acetyl]amino]-N-methylacetamide;N-ethylpropan-2-amine;2-[[2-[[2-[formyl(methyl)amino]acetyl]amino]acetyl]-methylamino]acetic acid
• SMILES: CCNC(=O)CN(C)C(=O)CNC(=O)CN(C)C(=O)CNC(=O)CN(C)C=O.CCNC(C)C.CN(C=O)CC(=O)NCC(=O)N(C)CC(=O)O
• InChI: InChI=1S/C16H28N6O6.C9H15N3O5.C5H13N/c1-5-17-13(25)9-21(3)16(28)7-19-14(26)10-22(4)15(27)6-18-12(24)8-20(2)11-23;1-11(6-13)4-7(14)10-3-8(15)12(2)5-9(16)17;1-4-6-5(2)3/h11H,5-10H2,1-4H3,(H,17,25)(H,18,24)(H,19,26);6H,3-5H2,1-2H3,(H,10,14)(H,16,17);5-6H,4H2,1-3H3
• InChIKey: BSNPIGRVVSKWBH-UHFFFAOYSA-N
• XLogP: -4.90
• TPSA: 267.28 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 11
• Rotatable Bonds: 21
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	732.84
LogP ≤ 5	-4.90
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-[[2-(ethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]amino]-2-oxoethyl]-2-[[2-[formyl(methyl)amino]acetyl]amino]-N-methylacetamide;N-ethylpropan-2-amine;2-[[2-[[2-[formyl(methyl)amino]acetyl]amino]acetyl]-methylamino]acetic acid?

The IUPAC name of N-[2-[[2-[[2-(ethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]amino]-2-oxoethyl]-2-[[2-[formyl(methyl)amino]acetyl]amino]-N-methylacetamide;N-ethylpropan-2-amine;2-[[2-[[2-[formyl(methyl)amino]acetyl]amino]acetyl]-methylamino]acetic acid (CID 176672097) is N-[2-[[2-[[2-(ethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]amino]-2-oxoethyl]-2-[[2-[formyl(methyl)amino]acetyl]amino]-N-methylacetamide;N-ethylpropan-2-amine;2-[[2-[[2-[formyl(methyl)amino]acetyl]amino]acetyl]-methylamino]acetic acid.

What is the SMILES notation for N-[2-[[2-[[2-(ethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]amino]-2-oxoethyl]-2-[[2-[formyl(methyl)amino]acetyl]amino]-N-methylacetamide;N-ethylpropan-2-amine;2-[[2-[[2-[formyl(methyl)amino]acetyl]amino]acetyl]-methylamino]acetic acid?

The canonical SMILES for N-[2-[[2-[[2-(ethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]amino]-2-oxoethyl]-2-[[2-[formyl(methyl)amino]acetyl]amino]-N-methylacetamide;N-ethylpropan-2-amine;2-[[2-[[2-[formyl(methyl)amino]acetyl]amino]acetyl]-methylamino]acetic acid is CCNC(=O)CN(C)C(=O)CNC(=O)CN(C)C(=O)CNC(=O)CN(C)C=O.CCNC(C)C.CN(C=O)CC(=O)NCC(=O)N(C)CC(=O)O.

What is the InChIKey of N-[2-[[2-[[2-(ethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]amino]-2-oxoethyl]-2-[[2-[formyl(methyl)amino]acetyl]amino]-N-methylacetamide;N-ethylpropan-2-amine;2-[[2-[[2-[formyl(methyl)amino]acetyl]amino]acetyl]-methylamino]acetic acid?

The InChIKey is BSNPIGRVVSKWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N6O6.C9H15N3O5.C5H13N/c1-5-17-13(25)9-21(3)16(28)7-19-14(26)10-22(4)15(27)6-18-12(24)8-20(2)11-23;1-11(6-13)4-7(14)10-3-8(15)12(2)5-9(16)17;1-4-6-5(2)3/h11H,5-10H2,1-4H3,(H,17,25)(H,18,24)(H,19,26);6H,3-5H2,1-2H3,(H,10,14)(H,16,17);5-6H,4H2,1-3H3.

What are the key properties of N-[2-[[2-[[2-(ethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]amino]-2-oxoethyl]-2-[[2-[formyl(methyl)amino]acetyl]amino]-N-methylacetamide;N-ethylpropan-2-amine;2-[[2-[[2-[formyl(methyl)amino]acetyl]amino]acetyl]-methylamino]acetic acid?

N-[2-[[2-[[2-(ethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]amino]-2-oxoethyl]-2-[[2-[formyl(methyl)amino]acetyl]amino]-N-methylacetamide;N-ethylpropan-2-amine;2-[[2-[[2-[formyl(methyl)amino]acetyl]amino]acetyl]-methylamino]acetic acid has a molecular weight of 732.84 g/mol, XLogP of -4.90, 21 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[2-[[2-(ethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]amino]-2-oxoethyl]-2-[[2-[formyl(methyl)amino]acetyl]amino]-N-methylacetamide;N-ethylpropan-2-amine;2-[[2-[[2-[formyl(methyl)amino]acetyl]amino]acetyl]-methylamino]acetic acid is sourced from PubChem (CID 176672097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).