N-[2-[[2-[4-[[2-[(2-benzamidoacetyl)amino]acetyl]amino]butylamino]-2-oxoethyl]amino]-2-oxoethyl]benzamide

C26H32N6O6 — CID 101335616

IUPACN-[2-[[2-[4-[[2-[(2-benzamidoacetyl)amino]acetyl]amino]butylamino]-2-oxoethyl]amino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)CNC(=O)c1ccccc1)NCCCCNC(=O)CNC(=O)CNC(=O)c1ccccc1
InChIInChI=1S/C26H32N6O6/c33-21(15-29-23(35)17-31-25(37)19-9-3-1-4-10-19)27-13-7-8-14-28-22(34)16-30-24(36)18-32-26(38)20-11-5-2-6-12-20/h1-6,9-12H,7-8,13-18H2,(H,27,33)(H,28,34)(H,29,35)(H,30,36)(H,31,37)(H,32,38)
InChIKeyBEPSEMNALVHDIR-UHFFFAOYSA-N
MW524.58 g/mol
LogP-0.91
Rot. Bonds15

About N-[2-[[2-[4-[[2-[(2-benzamidoacetyl)amino]acetyl]amino]butylamino]-2-oxoethyl]amino]-2-oxoethyl]benzamide

N-[2-[[2-[4-[[2-[(2-benzamidoacetyl)amino]acetyl]amino]butylamino]-2-oxoethyl]amino]-2-oxoethyl]benzamide (PubChem CID 101335616) has the molecular formula C26H32N6O6 and a molecular weight of 524.58 g/mol. Its IUPAC name is N-[2-[[2-[4-[[2-[(2-benzamidoacetyl)amino]acetyl]amino]butylamino]-2-oxoethyl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[[2-[4-[[2-[(2-benzamidoacetyl)amino]acetyl]amino]butylamino]-2-oxoethyl]amino]-2-oxoethyl]benzamide
PubChem CID101335616
Molecular FormulaC26H32N6O6
Molecular Weight524.58 g/mol
Exact Mass524.24
IUPAC NameN-[2-[[2-[4-[[2-[(2-benzamidoacetyl)amino]acetyl]amino]butylamino]-2-oxoethyl]amino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)CNC(=O)c1ccccc1)NCCCCNC(=O)CNC(=O)CNC(=O)c1ccccc1
InChIInChI=1S/C26H32N6O6/c33-21(15-29-23(35)17-31-25(37)19-9-3-1-4-10-19)27-13-7-8-14-28-22(34)16-30-24(36)18-32-26(38)20-11-5-2-6-12-20/h1-6,9-12H,7-8,13-18H2,(H,27,33)(H,28,34)(H,29,35)(H,30,36)(H,31,37)(H,32,38)
InChIKeyBEPSEMNALVHDIR-UHFFFAOYSA-N
XLogP-0.91
TPSA174.60 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.58
LogP ≤ 5-0.91
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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N-[2-oxo-2-(3-pyrrol-1-ylpropylamino)ethyl]benzamide
CID 90500499
N-[2-(2-aminoethylamino)-2-oxoethyl]benzamide;hydrochloride
CID 119384286
N-[2-(3-azidopropylamino)-2-oxoethyl]benzamide
CID 61344378
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CID 82097377
N-[2-(4-imidazol-1-ylbutylamino)-2-oxoethyl]benzamide
CID 110443115
N-[5-[(2-sulfanylacetyl)amino]pentyl]benzamide
CID 11482903
N-[2-oxo-2-[2-(propylamino)ethylamino]ethyl]benzamide
CID 62658623
N-[2-[3-(N-ethylanilino)propylamino]-2-oxoethyl]benzamide
CID 41278360
2-[(2-benzamidoacetyl)amino]propanedioic acid
CID 44626300
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CID 108539253

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-[4-[[2-[(2-benzamidoacetyl)amino]acetyl]amino]butylamino]-2-oxoethyl]amino]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[[2-[4-[[2-[(2-benzamidoacetyl)amino]acetyl]amino]butylamino]-2-oxoethyl]amino]-2-oxoethyl]benzamide (CID 101335616) is N-[2-[[2-[4-[[2-[(2-benzamidoacetyl)amino]acetyl]amino]butylamino]-2-oxoethyl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[[2-[4-[[2-[(2-benzamidoacetyl)amino]acetyl]amino]butylamino]-2-oxoethyl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[[2-[4-[[2-[(2-benzamidoacetyl)amino]acetyl]amino]butylamino]-2-oxoethyl]amino]-2-oxoethyl]benzamide is O=C(CNC(=O)CNC(=O)c1ccccc1)NCCCCNC(=O)CNC(=O)CNC(=O)c1ccccc1.
What is the InChIKey of N-[2-[[2-[4-[[2-[(2-benzamidoacetyl)amino]acetyl]amino]butylamino]-2-oxoethyl]amino]-2-oxoethyl]benzamide?
The InChIKey is BEPSEMNALVHDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O6/c33-21(15-29-23(35)17-31-25(37)19-9-3-1-4-10-19)27-13-7-8-14-28-22(34)16-30-24(36)18-32-26(38)20-11-5-2-6-12-20/h1-6,9-12H,7-8,13-18H2,(H,27,33)(H,28,34)(H,29,35)(H,30,36)(H,31,37)(H,32,38).
What are the key properties of N-[2-[[2-[4-[[2-[(2-benzamidoacetyl)amino]acetyl]amino]butylamino]-2-oxoethyl]amino]-2-oxoethyl]benzamide?
N-[2-[[2-[4-[[2-[(2-benzamidoacetyl)amino]acetyl]amino]butylamino]-2-oxoethyl]amino]-2-oxoethyl]benzamide has a molecular weight of 524.58 g/mol, XLogP of -0.91, 15 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-[4-[[2-[(2-benzamidoacetyl)amino]acetyl]amino]butylamino]-2-oxoethyl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 101335616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).