3-[4-(diethylamino)anilino]-N-(2-ethoxyphenyl)propanamide

C21H29N3O2 — CID 109039756

IUPAC3-[4-(diethylamino)anilino]-N-(2-ethoxyphenyl)propanamide
SMILESCCOc1ccccc1NC(=O)CCNc1ccc(N(CC)CC)cc1
InChIInChI=1S/C21H29N3O2/c1-4-24(5-2)18-13-11-17(12-14-18)22-16-15-21(25)23-19-9-7-8-10-20(19)26-6-3/h7-14,22H,4-6,15-16H2,1-3H3,(H,23,25)
InChIKeyWJGRCQJZNOKRFH-UHFFFAOYSA-N
MW355.48 g/mol
LogP4.37
Rot. Bonds10

About 3-[4-(diethylamino)anilino]-N-(2-ethoxyphenyl)propanamide

3-[4-(diethylamino)anilino]-N-(2-ethoxyphenyl)propanamide (PubChem CID 109039756) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is 3-[4-(diethylamino)anilino]-N-(2-ethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[4-(diethylamino)anilino]-N-(2-ethoxyphenyl)propanamide
PubChem CID109039756
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Name3-[4-(diethylamino)anilino]-N-(2-ethoxyphenyl)propanamide
SMILESCCOc1ccccc1NC(=O)CCNc1ccc(N(CC)CC)cc1
InChIInChI=1S/C21H29N3O2/c1-4-24(5-2)18-13-11-17(12-14-18)22-16-15-21(25)23-19-9-7-8-10-20(19)26-6-3/h7-14,22H,4-6,15-16H2,1-3H3,(H,23,25)
InChIKeyWJGRCQJZNOKRFH-UHFFFAOYSA-N
XLogP4.37
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 54.37
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-[4-(diethylamino)phenyl]-N'-(2-ethoxyphenyl)-2,2-dimethylpropanediamide
CID 108969471
3-(3,4-dimethylanilino)-N-(2-ethoxyphenyl)propanamide
CID 109035537
N-[4-(diethylamino)phenyl]-3-(2-fluoroanilino)propanamide
CID 109037588
3-(3-bromo-4-methylanilino)-N-(2-ethoxyphenyl)propanamide
CID 109039314
N-(2-ethoxyphenyl)-3-(4-piperidin-1-ylanilino)propanamide
CID 109039758
3-[4-(diethylamino)anilino]-N-(2,4-difluorophenyl)propanamide
CID 109041734
3-(4-ethoxyanilino)-N-(2-propan-2-yloxyphenyl)propanamide
CID 109039924
3-(2,6-difluoroanilino)-N-(2-ethoxyphenyl)propanamide
CID 109039796
N-(2-ethoxyphenyl)-3-(N-ethyl-3-methylanilino)propanamide
CID 109039794
N-[4-(diethylamino)-2-methylphenyl]-3-(2-methoxyanilino)propanamide
CID 109039466
N-[4-(dimethylamino)phenyl]-N'-(2-ethoxyphenyl)oxamide
CID 45001237
3-(2-ethoxyanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 109039806

Frequently Asked Questions

What is the IUPAC name of 3-[4-(diethylamino)anilino]-N-(2-ethoxyphenyl)propanamide?
The IUPAC name of 3-[4-(diethylamino)anilino]-N-(2-ethoxyphenyl)propanamide (CID 109039756) is 3-[4-(diethylamino)anilino]-N-(2-ethoxyphenyl)propanamide.
What is the SMILES notation for 3-[4-(diethylamino)anilino]-N-(2-ethoxyphenyl)propanamide?
The canonical SMILES for 3-[4-(diethylamino)anilino]-N-(2-ethoxyphenyl)propanamide is CCOc1ccccc1NC(=O)CCNc1ccc(N(CC)CC)cc1.
What is the InChIKey of 3-[4-(diethylamino)anilino]-N-(2-ethoxyphenyl)propanamide?
The InChIKey is WJGRCQJZNOKRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-4-24(5-2)18-13-11-17(12-14-18)22-16-15-21(25)23-19-9-7-8-10-20(19)26-6-3/h7-14,22H,4-6,15-16H2,1-3H3,(H,23,25).
What are the key properties of 3-[4-(diethylamino)anilino]-N-(2-ethoxyphenyl)propanamide?
3-[4-(diethylamino)anilino]-N-(2-ethoxyphenyl)propanamide has a molecular weight of 355.48 g/mol, XLogP of 4.37, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(diethylamino)anilino]-N-(2-ethoxyphenyl)propanamide is sourced from PubChem (CID 109039756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).