N-[4-[[2-(4-ethoxyanilino)acetyl]amino]phenyl]propanamide

C19H23N3O3 — CID 54811266

IUPACN-[4-[[2-(4-ethoxyanilino)acetyl]amino]phenyl]propanamide
SMILESCCOc1ccc(NCC(=O)Nc2ccc(NC(=O)CC)cc2)cc1
InChIInChI=1S/C19H23N3O3/c1-3-18(23)21-15-5-7-16(8-6-15)22-19(24)13-20-14-9-11-17(12-10-14)25-4-2/h5-12,20H,3-4,13H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyFOAVETQMXLMKAH-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.48
Rot. Bonds8

About N-[4-[[2-(4-ethoxyanilino)acetyl]amino]phenyl]propanamide

N-[4-[[2-(4-ethoxyanilino)acetyl]amino]phenyl]propanamide (PubChem CID 54811266) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-[4-[[2-(4-ethoxyanilino)acetyl]amino]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[[2-(4-ethoxyanilino)acetyl]amino]phenyl]propanamide
PubChem CID54811266
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC NameN-[4-[[2-(4-ethoxyanilino)acetyl]amino]phenyl]propanamide
SMILESCCOc1ccc(NCC(=O)Nc2ccc(NC(=O)CC)cc2)cc1
InChIInChI=1S/C19H23N3O3/c1-3-18(23)21-15-5-7-16(8-6-15)22-19(24)13-20-14-9-11-17(12-10-14)25-4-2/h5-12,20H,3-4,13H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyFOAVETQMXLMKAH-UHFFFAOYSA-N
XLogP3.48
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(4-acetamidoanilino)-N-(4-ethoxyphenyl)acetamide
CID 54808313
N-[4-[[2-(4-butoxyanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54835555
2-(4-ethoxyanilino)-N-[4-(2-methoxyethoxy)phenyl]acetamide
CID 54811661
2-(4-ethoxyanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 39452982
N-[4-[[2-oxo-2-[4-(2-phenoxyethoxy)anilino]ethyl]amino]phenyl]propanamide
CID 54835679
2-(4-ethoxyanilino)-N-(4-heptoxyphenyl)acetamide
CID 54811590
4-[[2-(4-ethoxyanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 54840736
N-[4-[[2-(4-propan-2-yloxyanilino)acetyl]amino]phenyl]propanamide
CID 54822614
2-(4-propoxyanilino)-N-(4-propoxyphenyl)acetamide
CID 54820383
2-[4-[acetyl(methyl)amino]anilino]-N-(4-ethoxyphenyl)acetamide
CID 54810999
4-[[2-(4-ethoxyanilino)acetyl]amino]-N,N-diethylbenzamide
CID 54811099
4-[[2-(4-chloroanilino)acetyl]amino]-N-(4-ethoxyphenyl)benzamide
CID 26417233

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(4-ethoxyanilino)acetyl]amino]phenyl]propanamide?
The IUPAC name of N-[4-[[2-(4-ethoxyanilino)acetyl]amino]phenyl]propanamide (CID 54811266) is N-[4-[[2-(4-ethoxyanilino)acetyl]amino]phenyl]propanamide.
What is the SMILES notation for N-[4-[[2-(4-ethoxyanilino)acetyl]amino]phenyl]propanamide?
The canonical SMILES for N-[4-[[2-(4-ethoxyanilino)acetyl]amino]phenyl]propanamide is CCOc1ccc(NCC(=O)Nc2ccc(NC(=O)CC)cc2)cc1.
What is the InChIKey of N-[4-[[2-(4-ethoxyanilino)acetyl]amino]phenyl]propanamide?
The InChIKey is FOAVETQMXLMKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-3-18(23)21-15-5-7-16(8-6-15)22-19(24)13-20-14-9-11-17(12-10-14)25-4-2/h5-12,20H,3-4,13H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-[4-[[2-(4-ethoxyanilino)acetyl]amino]phenyl]propanamide?
N-[4-[[2-(4-ethoxyanilino)acetyl]amino]phenyl]propanamide has a molecular weight of 341.41 g/mol, XLogP of 3.48, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(4-ethoxyanilino)acetyl]amino]phenyl]propanamide is sourced from PubChem (CID 54811266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).