N-[2-oxo-2-[2-[2-(2-propan-2-ylphenoxy)propanoylamino]ethylamino]ethyl]benzamide

C23H29N3O4 — CID 108539272

IUPACN-[2-oxo-2-[2-[2-(2-propan-2-ylphenoxy)propanoylamino]ethylamino]ethyl]benzamide
SMILESCC(Oc1ccccc1C(C)C)C(=O)NCCNC(=O)CNC(=O)c1ccccc1
InChIInChI=1S/C23H29N3O4/c1-16(2)19-11-7-8-12-20(19)30-17(3)22(28)25-14-13-24-21(27)15-26-23(29)18-9-5-4-6-10-18/h4-12,16-17H,13-15H2,1-3H3,(H,24,27)(H,25,28)(H,26,29)
InChIKeyJVKVXVOCKFWOAV-UHFFFAOYSA-N
MW411.50 g/mol
LogP2.24
Rot. Bonds10

About N-[2-oxo-2-[2-[2-(2-propan-2-ylphenoxy)propanoylamino]ethylamino]ethyl]benzamide

N-[2-oxo-2-[2-[2-(2-propan-2-ylphenoxy)propanoylamino]ethylamino]ethyl]benzamide (PubChem CID 108539272) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is N-[2-oxo-2-[2-[2-(2-propan-2-ylphenoxy)propanoylamino]ethylamino]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-oxo-2-[2-[2-(2-propan-2-ylphenoxy)propanoylamino]ethylamino]ethyl]benzamide
PubChem CID108539272
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC NameN-[2-oxo-2-[2-[2-(2-propan-2-ylphenoxy)propanoylamino]ethylamino]ethyl]benzamide
SMILESCC(Oc1ccccc1C(C)C)C(=O)NCCNC(=O)CNC(=O)c1ccccc1
InChIInChI=1S/C23H29N3O4/c1-16(2)19-11-7-8-12-20(19)30-17(3)22(28)25-14-13-24-21(27)15-26-23(29)18-9-5-4-6-10-18/h4-12,16-17H,13-15H2,1-3H3,(H,24,27)(H,25,28)(H,26,29)
InChIKeyJVKVXVOCKFWOAV-UHFFFAOYSA-N
XLogP2.24
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(dimethylamino)-N-[2-[2-(2-propan-2-ylphenoxy)propanoylamino]ethyl]benzamide
CID 108541365
3-chloro-N-[2-[2-(2-propan-2-ylphenoxy)propanoylamino]ethyl]benzamide
CID 108539503
3-bromo-N-[2-[2-(2-propan-2-ylphenoxy)propanoylamino]ethyl]benzamide
CID 108539653
(2R)-N-ethyl-2-(2-propan-2-ylphenoxy)propanamide
CID 92685149
(2S)-N-[2-(dimethylamino)ethyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 30379413
5-bromo-N-[2-[2-(2-propan-2-ylphenoxy)propanoylamino]ethyl]furan-2-carboxamide
CID 108540374
N-[2-(ethylsulfonylamino)ethyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 108572582
N-(2-phenylsulfanylethyl)-2-(2-propan-2-ylphenoxy)propanamide
CID 43916416
N-[2-[2-(2-propan-2-ylphenoxy)propanoylamino]ethyl]-3H-benzimidazole-5-carboxamide
CID 108541335
N-(3-propan-2-yloxypropyl)-2-(2-propan-2-ylphenoxy)propanamide
CID 43877163
N-[2-[2-(2-propan-2-ylphenoxy)propanoylamino]ethyl]pyrazine-2-carboxamide
CID 108541360
N-[(2-fluorophenyl)methyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 17068382

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[2-[2-(2-propan-2-ylphenoxy)propanoylamino]ethylamino]ethyl]benzamide?
The IUPAC name of N-[2-oxo-2-[2-[2-(2-propan-2-ylphenoxy)propanoylamino]ethylamino]ethyl]benzamide (CID 108539272) is N-[2-oxo-2-[2-[2-(2-propan-2-ylphenoxy)propanoylamino]ethylamino]ethyl]benzamide.
What is the SMILES notation for N-[2-oxo-2-[2-[2-(2-propan-2-ylphenoxy)propanoylamino]ethylamino]ethyl]benzamide?
The canonical SMILES for N-[2-oxo-2-[2-[2-(2-propan-2-ylphenoxy)propanoylamino]ethylamino]ethyl]benzamide is CC(Oc1ccccc1C(C)C)C(=O)NCCNC(=O)CNC(=O)c1ccccc1.
What is the InChIKey of N-[2-oxo-2-[2-[2-(2-propan-2-ylphenoxy)propanoylamino]ethylamino]ethyl]benzamide?
The InChIKey is JVKVXVOCKFWOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4/c1-16(2)19-11-7-8-12-20(19)30-17(3)22(28)25-14-13-24-21(27)15-26-23(29)18-9-5-4-6-10-18/h4-12,16-17H,13-15H2,1-3H3,(H,24,27)(H,25,28)(H,26,29).
What are the key properties of N-[2-oxo-2-[2-[2-(2-propan-2-ylphenoxy)propanoylamino]ethylamino]ethyl]benzamide?
N-[2-oxo-2-[2-[2-(2-propan-2-ylphenoxy)propanoylamino]ethylamino]ethyl]benzamide has a molecular weight of 411.50 g/mol, XLogP of 2.24, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[2-[2-(2-propan-2-ylphenoxy)propanoylamino]ethylamino]ethyl]benzamide is sourced from PubChem (CID 108539272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).