N-[2-[[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-2-(propan-2-ylamino)acetamide;2-[[2-[[2-[[2-[(2-formamidoacetyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid

C24H42N10O11 — CID 176672107

About N-[2-[[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-2-(propan-2-ylamino)acetamide;2-[[2-[[2-[[2-[(2-formamidoacetyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid

N-[2-[[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-2-(propan-2-ylamino)acetamide;2-[[2-[[2-[[2-[(2-formamidoacetyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid (PubChem CID 176672107) has the molecular formula C24H42N10O11 and a molecular weight of 646.66 g/mol. Its IUPAC name is N-[2-[[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-2-(propan-2-ylamino)acetamide;2-[[2-[[2-[[2-[(2-formamidoacetyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid.

Molecular Properties

• Compound Name: N-[2-[[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-2-(propan-2-ylamino)acetamide;2-[[2-[[2-[[2-[(2-formamidoacetyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid
• PubChem CID: 176672107
• Molecular Formula: C24H42N10O11
• Molecular Weight: 646.66 g/mol
• Exact Mass: 646.30
• IUPAC Name: N-[2-[[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-2-(propan-2-ylamino)acetamide;2-[[2-[[2-[[2-[(2-formamidoacetyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid
• SMILES: CCNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(C)C.O=CNCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)O
• InChI: InChI=1S/C13H25N5O4.C11H17N5O7/c1-4-14-10(19)6-16-12(21)8-18-13(22)7-17-11(20)5-15-9(2)3;17-6-12-1-7(18)13-2-8(19)14-3-9(20)15-4-10(21)16-5-11(22)23/h9,15H,4-8H2,1-3H3,(H,14,19)(H,16,21)(H,17,20)(H,18,22);6H,1-5H2,(H,12,17)(H,13,18)(H,14,19)(H,15,20)(H,16,21)(H,22,23)
• InChIKey: SFYUXOUFNNHDRV-UHFFFAOYSA-N
• XLogP: -7.25
• TPSA: 311.23 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 11
• Rotatable Bonds: 21
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	646.66
LogP ≤ 5	-7.25
H-Bond Donors ≤ 5	11
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]amino]-2-oxoethyl]amino]-2-oxoethyl]-2-(propan-2-ylamino)acetamide;2-[[2-[[2-[[2-[(2-formamidoacetyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid?

The IUPAC name of N-[2-[[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-2-(propan-2-ylamino)acetamide;2-[[2-[[2-[[2-[(2-formamidoacetyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid (CID 176672107) is N-[2-[[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-2-(propan-2-ylamino)acetamide;2-[[2-[[2-[[2-[(2-formamidoacetyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid.

What is the SMILES notation for N-[2-[[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-2-(propan-2-ylamino)acetamide;2-[[2-[[2-[[2-[(2-formamidoacetyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid?

The canonical SMILES for N-[2-[[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-2-(propan-2-ylamino)acetamide;2-[[2-[[2-[[2-[(2-formamidoacetyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid is CCNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(C)C.O=CNCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)O.

What is the InChIKey of N-[2-[[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-2-(propan-2-ylamino)acetamide;2-[[2-[[2-[[2-[(2-formamidoacetyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid?

The InChIKey is SFYUXOUFNNHDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O4.C11H17N5O7/c1-4-14-10(19)6-16-12(21)8-18-13(22)7-17-11(20)5-15-9(2)3;17-6-12-1-7(18)13-2-8(19)14-3-9(20)15-4-10(21)16-5-11(22)23/h9,15H,4-8H2,1-3H3,(H,14,19)(H,16,21)(H,17,20)(H,18,22);6H,1-5H2,(H,12,17)(H,13,18)(H,14,19)(H,15,20)(H,16,21)(H,22,23).

What are the key properties of N-[2-[[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-2-(propan-2-ylamino)acetamide;2-[[2-[[2-[[2-[(2-formamidoacetyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid?

N-[2-[[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-2-(propan-2-ylamino)acetamide;2-[[2-[[2-[[2-[(2-formamidoacetyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid has a molecular weight of 646.66 g/mol, XLogP of -7.25, 21 rotatable bonds, 11 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-2-(propan-2-ylamino)acetamide;2-[[2-[[2-[[2-[(2-formamidoacetyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid is sourced from PubChem (CID 176672107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).