N-(2-ethoxyphenyl)-2-[4-(2-methoxyethoxy)anilino]propanamide

C20H26N2O4 — CID 55684249

IUPACN-(2-ethoxyphenyl)-2-[4-(2-methoxyethoxy)anilino]propanamide
SMILESCCOc1ccccc1NC(=O)C(C)Nc1ccc(OCCOC)cc1
InChIInChI=1S/C20H26N2O4/c1-4-25-19-8-6-5-7-18(19)22-20(23)15(2)21-16-9-11-17(12-10-16)26-14-13-24-3/h5-12,15,21H,4,13-14H2,1-3H3,(H,22,23)
InChIKeyBOVKCLUYHJLKHC-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.55
Rot. Bonds10

About N-(2-ethoxyphenyl)-2-[4-(2-methoxyethoxy)anilino]propanamide

N-(2-ethoxyphenyl)-2-[4-(2-methoxyethoxy)anilino]propanamide (PubChem CID 55684249) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-[4-(2-methoxyethoxy)anilino]propanamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-[4-(2-methoxyethoxy)anilino]propanamide
PubChem CID55684249
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC NameN-(2-ethoxyphenyl)-2-[4-(2-methoxyethoxy)anilino]propanamide
SMILESCCOc1ccccc1NC(=O)C(C)Nc1ccc(OCCOC)cc1
InChIInChI=1S/C20H26N2O4/c1-4-25-19-8-6-5-7-18(19)22-20(23)15(2)21-16-9-11-17(12-10-16)26-14-13-24-3/h5-12,15,21H,4,13-14H2,1-3H3,(H,22,23)
InChIKeyBOVKCLUYHJLKHC-UHFFFAOYSA-N
XLogP3.55
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-ethoxyanilino)-N-(2-ethoxyphenyl)propanamide
CID 51242376
2-[4-[2-(dimethylamino)-2-oxoethyl]anilino]-N-(2-ethoxyphenyl)propanamide
CID 60542586
4-chloro-N-[4-[[1-(2-ethoxyanilino)-1-oxopropan-2-yl]amino]phenyl]benzamide
CID 60583133
N-(2-ethoxyphenyl)-2-[4-(2-methoxyethoxy)anilino]acetamide
CID 54822263
2-(4-methoxyanilino)-N-(2-methoxyphenyl)propanamide
CID 17397275
(2R)-N-(2-methoxyphenyl)-2-(4-phenylmethoxyanilino)propanamide
CID 7830477
N-(2-ethoxyphenyl)-2-(3-methylanilino)propanamide
CID 51242335
2-(4-bromo-3-methylanilino)-N-(2-ethoxyphenyl)propanamide
CID 46667035
N-(2-ethoxyphenyl)-2-[3-(hydroxymethyl)anilino]propanamide
CID 110880183
2-(4-acetamido-3-chloroanilino)-N-(2-ethoxyphenyl)propanamide
CID 47018355
(2S)-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-N-(2-ethoxyphenyl)propanamide
CID 37304550
2-(2-ethoxyanilino)-N-methylpropanamide
CID 43085473

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-[4-(2-methoxyethoxy)anilino]propanamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-[4-(2-methoxyethoxy)anilino]propanamide (CID 55684249) is N-(2-ethoxyphenyl)-2-[4-(2-methoxyethoxy)anilino]propanamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-[4-(2-methoxyethoxy)anilino]propanamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-[4-(2-methoxyethoxy)anilino]propanamide is CCOc1ccccc1NC(=O)C(C)Nc1ccc(OCCOC)cc1.
What is the InChIKey of N-(2-ethoxyphenyl)-2-[4-(2-methoxyethoxy)anilino]propanamide?
The InChIKey is BOVKCLUYHJLKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-4-25-19-8-6-5-7-18(19)22-20(23)15(2)21-16-9-11-17(12-10-16)26-14-13-24-3/h5-12,15,21H,4,13-14H2,1-3H3,(H,22,23).
What are the key properties of N-(2-ethoxyphenyl)-2-[4-(2-methoxyethoxy)anilino]propanamide?
N-(2-ethoxyphenyl)-2-[4-(2-methoxyethoxy)anilino]propanamide has a molecular weight of 358.44 g/mol, XLogP of 3.55, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-[4-(2-methoxyethoxy)anilino]propanamide is sourced from PubChem (CID 55684249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).