N-(4-acetamidophenyl)-2-[4-(4-ethylpiperazin-1-yl)anilino]propanamide

C23H31N5O2 — CID 18532520

IUPACN-(4-acetamidophenyl)-2-[4-(4-ethylpiperazin-1-yl)anilino]propanamide
SMILESCCN1CCN(c2ccc(NC(C)C(=O)Nc3ccc(NC(C)=O)cc3)cc2)CC1
InChIInChI=1S/C23H31N5O2/c1-4-27-13-15-28(16-14-27)22-11-9-19(10-12-22)24-17(2)23(30)26-21-7-5-20(6-8-21)25-18(3)29/h5-12,17,24H,4,13-16H2,1-3H3,(H,25,29)(H,26,30)
InChIKeyIOWCYLIZKKOYTI-UHFFFAOYSA-N
MW409.53 g/mol
LogP3.23
Rot. Bonds7

About N-(4-acetamidophenyl)-2-[4-(4-ethylpiperazin-1-yl)anilino]propanamide

N-(4-acetamidophenyl)-2-[4-(4-ethylpiperazin-1-yl)anilino]propanamide (PubChem CID 18532520) has the molecular formula C23H31N5O2 and a molecular weight of 409.53 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[4-(4-ethylpiperazin-1-yl)anilino]propanamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-[4-(4-ethylpiperazin-1-yl)anilino]propanamide
PubChem CID18532520
Molecular FormulaC23H31N5O2
Molecular Weight409.53 g/mol
Exact Mass409.25
IUPAC NameN-(4-acetamidophenyl)-2-[4-(4-ethylpiperazin-1-yl)anilino]propanamide
SMILESCCN1CCN(c2ccc(NC(C)C(=O)Nc3ccc(NC(C)=O)cc3)cc2)CC1
InChIInChI=1S/C23H31N5O2/c1-4-27-13-15-28(16-14-27)22-11-9-19(10-12-22)24-17(2)23(30)26-21-7-5-20(6-8-21)25-18(3)29/h5-12,17,24H,4,13-16H2,1-3H3,(H,25,29)(H,26,30)
InChIKeyIOWCYLIZKKOYTI-UHFFFAOYSA-N
XLogP3.23
TPSA76.71 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-acetamidoanilino)-N-(4-piperidin-1-ylphenyl)propanamide
CID 134062601
2-acetamido-N-[4-(4-ethylpiperazin-1-yl)phenyl]-3-methylbutanamide
CID 46807379
(2R)-N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-phenylsulfanylpropanamide
CID 42297885
N-[4-(4-acetylpiperazin-1-yl)phenyl]acetamide
CID 2889550
(2S)-N-(4-morpholin-4-ylphenyl)-2-(4-phenylanilino)propanamide
CID 7509574
N-[4-(4-ethylpiperazin-1-yl)phenyl]benzamide
CID 3837739
N-ethyl-2-(4-piperidin-1-ylanilino)propanamide
CID 60673103
N-propyl-2-(4-pyrrolidin-1-ylanilino)propanamide
CID 60676702
2-(2-bromo-4-chlorophenoxy)-N-[4-(4-ethylpiperazin-1-yl)phenyl]propanamide
CID 46540861
(2S)-2-(4-pyrrolidin-1-ylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 41157437
5-acetamido-N-[4-(4-ethylpiperazin-1-yl)phenyl]thiophene-2-carboxamide
CID 17488532
N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-phenylacetamide
CID 969221

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-[4-(4-ethylpiperazin-1-yl)anilino]propanamide?
The IUPAC name of N-(4-acetamidophenyl)-2-[4-(4-ethylpiperazin-1-yl)anilino]propanamide (CID 18532520) is N-(4-acetamidophenyl)-2-[4-(4-ethylpiperazin-1-yl)anilino]propanamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-[4-(4-ethylpiperazin-1-yl)anilino]propanamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-[4-(4-ethylpiperazin-1-yl)anilino]propanamide is CCN1CCN(c2ccc(NC(C)C(=O)Nc3ccc(NC(C)=O)cc3)cc2)CC1.
What is the InChIKey of N-(4-acetamidophenyl)-2-[4-(4-ethylpiperazin-1-yl)anilino]propanamide?
The InChIKey is IOWCYLIZKKOYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O2/c1-4-27-13-15-28(16-14-27)22-11-9-19(10-12-22)24-17(2)23(30)26-21-7-5-20(6-8-21)25-18(3)29/h5-12,17,24H,4,13-16H2,1-3H3,(H,25,29)(H,26,30).
What are the key properties of N-(4-acetamidophenyl)-2-[4-(4-ethylpiperazin-1-yl)anilino]propanamide?
N-(4-acetamidophenyl)-2-[4-(4-ethylpiperazin-1-yl)anilino]propanamide has a molecular weight of 409.53 g/mol, XLogP of 3.23, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-[4-(4-ethylpiperazin-1-yl)anilino]propanamide is sourced from PubChem (CID 18532520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).