N-(2-ethoxyphenyl)-3-(4-piperidin-1-ylanilino)propanamide

C22H29N3O2 — CID 109039758

IUPACN-(2-ethoxyphenyl)-3-(4-piperidin-1-ylanilino)propanamide
SMILESCCOc1ccccc1NC(=O)CCNc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C22H29N3O2/c1-2-27-21-9-5-4-8-20(21)24-22(26)14-15-23-18-10-12-19(13-11-18)25-16-6-3-7-17-25/h4-5,8-13,23H,2-3,6-7,14-17H2,1H3,(H,24,26)
InChIKeyHZVZQNZJQIOUKH-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.52
Rot. Bonds8

About N-(2-ethoxyphenyl)-3-(4-piperidin-1-ylanilino)propanamide

N-(2-ethoxyphenyl)-3-(4-piperidin-1-ylanilino)propanamide (PubChem CID 109039758) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-3-(4-piperidin-1-ylanilino)propanamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-3-(4-piperidin-1-ylanilino)propanamide
PubChem CID109039758
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC NameN-(2-ethoxyphenyl)-3-(4-piperidin-1-ylanilino)propanamide
SMILESCCOc1ccccc1NC(=O)CCNc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C22H29N3O2/c1-2-27-21-9-5-4-8-20(21)24-22(26)14-15-23-18-10-12-19(13-11-18)25-16-6-3-7-17-25/h4-5,8-13,23H,2-3,6-7,14-17H2,1H3,(H,24,26)
InChIKeyHZVZQNZJQIOUKH-UHFFFAOYSA-N
XLogP4.52
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(2-chlorophenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109037829
3-(2-methoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109039433
N-phenyl-3-(4-piperidin-1-ylanilino)propanamide
CID 109033849
N-(4-piperidin-1-ylphenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109041781
3-(2-ethylanilino)-N-(4-piperidin-1-ylphenyl)propanamide
CID 109036225
N-phenyl-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109033848
3-(4-pyrrolidin-1-ylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109041751
3-[4-(diethylamino)anilino]-N-(2-ethoxyphenyl)propanamide
CID 109039756
3-(3,4-dimethylanilino)-N-(2-ethoxyphenyl)propanamide
CID 109035537
N-(2,4-difluorophenyl)-3-(4-piperidin-1-ylanilino)propanamide
CID 109041838
N-(4-fluorophenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109037669
3-(2,6-difluoroanilino)-N-(2-ethoxyphenyl)propanamide
CID 109039796

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-3-(4-piperidin-1-ylanilino)propanamide?
The IUPAC name of N-(2-ethoxyphenyl)-3-(4-piperidin-1-ylanilino)propanamide (CID 109039758) is N-(2-ethoxyphenyl)-3-(4-piperidin-1-ylanilino)propanamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-3-(4-piperidin-1-ylanilino)propanamide?
The canonical SMILES for N-(2-ethoxyphenyl)-3-(4-piperidin-1-ylanilino)propanamide is CCOc1ccccc1NC(=O)CCNc1ccc(N2CCCCC2)cc1.
What is the InChIKey of N-(2-ethoxyphenyl)-3-(4-piperidin-1-ylanilino)propanamide?
The InChIKey is HZVZQNZJQIOUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-2-27-21-9-5-4-8-20(21)24-22(26)14-15-23-18-10-12-19(13-11-18)25-16-6-3-7-17-25/h4-5,8-13,23H,2-3,6-7,14-17H2,1H3,(H,24,26).
What are the key properties of N-(2-ethoxyphenyl)-3-(4-piperidin-1-ylanilino)propanamide?
N-(2-ethoxyphenyl)-3-(4-piperidin-1-ylanilino)propanamide has a molecular weight of 367.49 g/mol, XLogP of 4.52, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-3-(4-piperidin-1-ylanilino)propanamide is sourced from PubChem (CID 109039758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).