4-(dimethylamino)-N-[2-[2-(2-propan-2-ylphenoxy)propanoylamino]ethyl]benzamide

C23H31N3O3 — CID 108541365

IUPAC4-(dimethylamino)-N-[2-[2-(2-propan-2-ylphenoxy)propanoylamino]ethyl]benzamide
SMILESCC(Oc1ccccc1C(C)C)C(=O)NCCNC(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C23H31N3O3/c1-16(2)20-8-6-7-9-21(20)29-17(3)22(27)24-14-15-25-23(28)18-10-12-19(13-11-18)26(4)5/h6-13,16-17H,14-15H2,1-5H3,(H,24,27)(H,25,28)
InChIKeyZZFMNWXPDAYJEP-UHFFFAOYSA-N
MW397.52 g/mol
LogP3.19
Rot. Bonds9

About 4-(dimethylamino)-N-[2-[2-(2-propan-2-ylphenoxy)propanoylamino]ethyl]benzamide

4-(dimethylamino)-N-[2-[2-(2-propan-2-ylphenoxy)propanoylamino]ethyl]benzamide (PubChem CID 108541365) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[2-[2-(2-propan-2-ylphenoxy)propanoylamino]ethyl]benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[2-[2-(2-propan-2-ylphenoxy)propanoylamino]ethyl]benzamide
PubChem CID108541365
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC Name4-(dimethylamino)-N-[2-[2-(2-propan-2-ylphenoxy)propanoylamino]ethyl]benzamide
SMILESCC(Oc1ccccc1C(C)C)C(=O)NCCNC(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C23H31N3O3/c1-16(2)20-8-6-7-9-21(20)29-17(3)22(27)24-14-15-25-23(28)18-10-12-19(13-11-18)26(4)5/h6-13,16-17H,14-15H2,1-5H3,(H,24,27)(H,25,28)
InChIKeyZZFMNWXPDAYJEP-UHFFFAOYSA-N
XLogP3.19
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-oxo-2-[2-[2-(2-propan-2-ylphenoxy)propanoylamino]ethylamino]ethyl]benzamide
CID 108539272
(2S)-N-[2-(dimethylamino)ethyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 30379413
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
N-[2-[2-(2-propan-2-ylphenoxy)propanoylamino]ethyl]-3H-benzimidazole-5-carboxamide
CID 108541335
N-(2-benzamidoethyl)-4-(dimethylamino)benzamide
CID 38175898
N-(3-propan-2-yloxypropyl)-2-(2-propan-2-ylphenoxy)propanamide
CID 43877163
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-[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 4-(dimethylamino)-N-[2-[2-(2-propan-2-ylphenoxy)propanoylamino]ethyl]benzamide?
The IUPAC name of 4-(dimethylamino)-N-[2-[2-(2-propan-2-ylphenoxy)propanoylamino]ethyl]benzamide (CID 108541365) is 4-(dimethylamino)-N-[2-[2-(2-propan-2-ylphenoxy)propanoylamino]ethyl]benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-[2-[2-(2-propan-2-ylphenoxy)propanoylamino]ethyl]benzamide?
The canonical SMILES for 4-(dimethylamino)-N-[2-[2-(2-propan-2-ylphenoxy)propanoylamino]ethyl]benzamide is CC(Oc1ccccc1C(C)C)C(=O)NCCNC(=O)c1ccc(N(C)C)cc1.
What is the InChIKey of 4-(dimethylamino)-N-[2-[2-(2-propan-2-ylphenoxy)propanoylamino]ethyl]benzamide?
The InChIKey is ZZFMNWXPDAYJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-16(2)20-8-6-7-9-21(20)29-17(3)22(27)24-14-15-25-23(28)18-10-12-19(13-11-18)26(4)5/h6-13,16-17H,14-15H2,1-5H3,(H,24,27)(H,25,28).
What are the key properties of 4-(dimethylamino)-N-[2-[2-(2-propan-2-ylphenoxy)propanoylamino]ethyl]benzamide?
4-(dimethylamino)-N-[2-[2-(2-propan-2-ylphenoxy)propanoylamino]ethyl]benzamide has a molecular weight of 397.52 g/mol, XLogP of 3.19, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[2-[2-(2-propan-2-ylphenoxy)propanoylamino]ethyl]benzamide is sourced from PubChem (CID 108541365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).