2-hydroxy-N-[2-[2-[2-[(2-hydroxybenzoyl)amino]ethylamino]ethylamino]ethyl]benzamide

C20H26N4O4 — CID 101177175

IUPAC2-hydroxy-N-[2-[2-[2-[(2-hydroxybenzoyl)amino]ethylamino]ethylamino]ethyl]benzamide
SMILESO=C(NCCNCCNCCNC(=O)c1ccccc1O)c1ccccc1O
InChIInChI=1S/C20H26N4O4/c25-17-7-3-1-5-15(17)19(27)23-13-11-21-9-10-22-12-14-24-20(28)16-6-2-4-8-18(16)26/h1-8,21-22,25-26H,9-14H2,(H,23,27)(H,24,28)
InChIKeyTULWCXXKXAUNAV-UHFFFAOYSA-N
MW386.45 g/mol
LogP0.44
Rot. Bonds11

About 2-hydroxy-N-[2-[2-[2-[(2-hydroxybenzoyl)amino]ethylamino]ethylamino]ethyl]benzamide

2-hydroxy-N-[2-[2-[2-[(2-hydroxybenzoyl)amino]ethylamino]ethylamino]ethyl]benzamide (PubChem CID 101177175) has the molecular formula C20H26N4O4 and a molecular weight of 386.45 g/mol. Its IUPAC name is 2-hydroxy-N-[2-[2-[2-[(2-hydroxybenzoyl)amino]ethylamino]ethylamino]ethyl]benzamide.

Molecular Properties

Compound Name2-hydroxy-N-[2-[2-[2-[(2-hydroxybenzoyl)amino]ethylamino]ethylamino]ethyl]benzamide
PubChem CID101177175
Molecular FormulaC20H26N4O4
Molecular Weight386.45 g/mol
Exact Mass386.20
IUPAC Name2-hydroxy-N-[2-[2-[2-[(2-hydroxybenzoyl)amino]ethylamino]ethylamino]ethyl]benzamide
SMILESO=C(NCCNCCNCCNC(=O)c1ccccc1O)c1ccccc1O
InChIInChI=1S/C20H26N4O4/c25-17-7-3-1-5-15(17)19(27)23-13-11-21-9-10-22-12-14-24-20(28)16-6-2-4-8-18(16)26/h1-8,21-22,25-26H,9-14H2,(H,23,27)(H,24,28)
InChIKeyTULWCXXKXAUNAV-UHFFFAOYSA-N
XLogP0.44
TPSA122.72 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.45
LogP ≤ 50.44
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

2-hydroxy-N-[2-(2-methoxyethylamino)ethyl]benzamide
CID 83039586
2-hydroxy-N-[2-[(2-iodobenzoyl)amino]ethyl]benzamide
CID 108539161
3,5-dihydroxy-N-[2-[(2-hydroxybenzoyl)amino]ethyl]benzamide
CID 108540088
2-hydroxy-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62657877
2-hydroxy-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]benzamide
CID 108537618
2-hydroxy-N-[2-[(2-methoxybenzoyl)amino]ethyl]benzamide
CID 108538036
2,5-dichloro-N-[2-[(2-hydroxybenzoyl)amino]ethyl]benzamide
CID 108540057
tert-butyl N-[2-[(2-hydroxybenzoyl)amino]ethyl]carbamate
CID 47456092
2-hydroxy-N-[2-(3-methoxypropanoylamino)ethyl]benzamide
CID 108540071
2-hydroxy-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]benzamide
CID 47712275
prop-2-enyl N-[2-[(2-hydroxybenzoyl)amino]ethyl]carbamate
CID 108571704
2-chloroethyl N-[2-[(2-hydroxybenzoyl)amino]ethyl]carbamate
CID 108571703

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[2-[2-[2-[(2-hydroxybenzoyl)amino]ethylamino]ethylamino]ethyl]benzamide?
The IUPAC name of 2-hydroxy-N-[2-[2-[2-[(2-hydroxybenzoyl)amino]ethylamino]ethylamino]ethyl]benzamide (CID 101177175) is 2-hydroxy-N-[2-[2-[2-[(2-hydroxybenzoyl)amino]ethylamino]ethylamino]ethyl]benzamide.
What is the SMILES notation for 2-hydroxy-N-[2-[2-[2-[(2-hydroxybenzoyl)amino]ethylamino]ethylamino]ethyl]benzamide?
The canonical SMILES for 2-hydroxy-N-[2-[2-[2-[(2-hydroxybenzoyl)amino]ethylamino]ethylamino]ethyl]benzamide is O=C(NCCNCCNCCNC(=O)c1ccccc1O)c1ccccc1O.
What is the InChIKey of 2-hydroxy-N-[2-[2-[2-[(2-hydroxybenzoyl)amino]ethylamino]ethylamino]ethyl]benzamide?
The InChIKey is TULWCXXKXAUNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O4/c25-17-7-3-1-5-15(17)19(27)23-13-11-21-9-10-22-12-14-24-20(28)16-6-2-4-8-18(16)26/h1-8,21-22,25-26H,9-14H2,(H,23,27)(H,24,28).
What are the key properties of 2-hydroxy-N-[2-[2-[2-[(2-hydroxybenzoyl)amino]ethylamino]ethylamino]ethyl]benzamide?
2-hydroxy-N-[2-[2-[2-[(2-hydroxybenzoyl)amino]ethylamino]ethylamino]ethyl]benzamide has a molecular weight of 386.45 g/mol, XLogP of 0.44, 11 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[2-[2-[2-[(2-hydroxybenzoyl)amino]ethylamino]ethylamino]ethyl]benzamide is sourced from PubChem (CID 101177175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).