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

C25H35N3O3 — CID 17229797

IUPACN-[2-(diethylamino)ethyl]-4-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide
SMILESCCN(CC)CCNC(=O)c1ccc(NC(=O)C(C)Oc2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C25H35N3O3/c1-6-28(7-2)17-16-26-25(30)21-8-12-22(13-9-21)27-24(29)19(5)31-23-14-10-20(11-15-23)18(3)4/h8-15,18-19H,6-7,16-17H2,1-5H3,(H,26,30)(H,27,29)
InChIKeyWKCFEEYKBNPUIW-UHFFFAOYSA-N
MW425.57 g/mol
LogP4.29
Rot. Bonds11

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

N-[2-(diethylamino)ethyl]-4-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide (PubChem CID 17229797) has the molecular formula C25H35N3O3 and a molecular weight of 425.57 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-4-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-4-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide
PubChem CID17229797
Molecular FormulaC25H35N3O3
Molecular Weight425.57 g/mol
Exact Mass425.27
IUPAC NameN-[2-(diethylamino)ethyl]-4-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide
SMILESCCN(CC)CCNC(=O)c1ccc(NC(=O)C(C)Oc2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C25H35N3O3/c1-6-28(7-2)17-16-26-25(30)21-8-12-22(13-9-21)27-24(29)19(5)31-23-14-10-20(11-15-23)18(3)4/h8-15,18-19H,6-7,16-17H2,1-5H3,(H,26,30)(H,27,29)
InChIKeyWKCFEEYKBNPUIW-UHFFFAOYSA-N
XLogP4.29
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.57
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide
CID 17234372
N-(3-methoxypropyl)-4-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide
CID 17205110
(2S)-N-(4-acetylphenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 9238804
N-(4-acetylphenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 4953600
N-[2-(diethylamino)ethyl]-4-[(4-methoxybenzoyl)amino]benzamide
CID 4677770
N-[2-[2-(diethylamino)ethoxy]ethyl]-4-propan-2-ylbenzamide
CID 110425052
4-[2-(4-chlorophenoxy)propanoylamino]-N-(2-methoxyethyl)benzamide
CID 17218257
N-(4-butan-2-yloxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 17160633
3-[2-(4-propan-2-ylphenoxy)propanoylamino]-N-propylbenzamide
CID 17222714
4-[[(2S)-2-amino-3-methylbutanoyl]amino]-N-[2-(diethylamino)ethyl]benzamide;dihydrochloride
CID 119827857
4-acetamido-N-[2-(diethylamino)ethyl]benzamide;hydron;chloride
CID 67108272
4-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-[2-(diethylamino)ethyl]benzamide;dihydrochloride
CID 120669281

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-4-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-4-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide (CID 17229797) is N-[2-(diethylamino)ethyl]-4-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-4-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-4-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide is CCN(CC)CCNC(=O)c1ccc(NC(=O)C(C)Oc2ccc(C(C)C)cc2)cc1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-4-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide?
The InChIKey is WKCFEEYKBNPUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O3/c1-6-28(7-2)17-16-26-25(30)21-8-12-22(13-9-21)27-24(29)19(5)31-23-14-10-20(11-15-23)18(3)4/h8-15,18-19H,6-7,16-17H2,1-5H3,(H,26,30)(H,27,29).
What are the key properties of N-[2-(diethylamino)ethyl]-4-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide?
N-[2-(diethylamino)ethyl]-4-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide has a molecular weight of 425.57 g/mol, XLogP of 4.29, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-4-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide is sourced from PubChem (CID 17229797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).