N-[3-[2-(ethoxymethyl)anilino]-3-oxopropyl]-2,2-dimethylpropanamide

C17H26N2O3 — CID 86821848

IUPACN-[3-[2-(ethoxymethyl)anilino]-3-oxopropyl]-2,2-dimethylpropanamide
SMILESCCOCc1ccccc1NC(=O)CCNC(=O)C(C)(C)C
InChIInChI=1S/C17H26N2O3/c1-5-22-12-13-8-6-7-9-14(13)19-15(20)10-11-18-16(21)17(2,3)4/h6-9H,5,10-12H2,1-4H3,(H,18,21)(H,19,20)
InChIKeyWUUMYYJFRQVNOH-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.71
Rot. Bonds7

About N-[3-[2-(ethoxymethyl)anilino]-3-oxopropyl]-2,2-dimethylpropanamide

N-[3-[2-(ethoxymethyl)anilino]-3-oxopropyl]-2,2-dimethylpropanamide (PubChem CID 86821848) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[3-[2-(ethoxymethyl)anilino]-3-oxopropyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-[2-(ethoxymethyl)anilino]-3-oxopropyl]-2,2-dimethylpropanamide
PubChem CID86821848
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC NameN-[3-[2-(ethoxymethyl)anilino]-3-oxopropyl]-2,2-dimethylpropanamide
SMILESCCOCc1ccccc1NC(=O)CCNC(=O)C(C)(C)C
InChIInChI=1S/C17H26N2O3/c1-5-22-12-13-8-6-7-9-14(13)19-15(20)10-11-18-16(21)17(2,3)4/h6-9H,5,10-12H2,1-4H3,(H,18,21)(H,19,20)
InChIKeyWUUMYYJFRQVNOH-UHFFFAOYSA-N
XLogP2.71
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[2-(ethoxymethyl)anilino]-3-oxopropyl]thiophene-3-carboxamide
CID 86821772
1-[2-(ethoxymethyl)phenyl]-3-hexylurea
CID 60562677
1-[2-(ethoxymethyl)phenyl]-3-(3-hydroxybutyl)urea
CID 111336885
1-[2-(ethoxymethyl)phenyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea
CID 111431488
N-[2-(ethoxymethyl)phenyl]-3-(2-oxo-1-pyridinyl)propanamide
CID 86821879
1-[2-(ethoxymethyl)phenyl]-3-(5-methoxypentyl)urea
CID 86871424
tert-butyl N-[3-oxo-3-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]anilino]propyl]carbamate
CID 108920770
2,2-dimethyl-N-[4-(2-methylanilino)-4-oxobutyl]propanamide
CID 32688592
N-[2-(ethoxymethyl)phenyl]-2-methoxypropanamide
CID 112686280
N-[4-(2-aminoanilino)-4-oxobutyl]-2,2-dimethylpropanamide
CID 119422393
N-[2-[2-(ethylaminomethyl)anilino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 119439887
2-(1-aminocyclobutyl)-N-[2-(ethoxymethyl)phenyl]acetamide
CID 79851029

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(ethoxymethyl)anilino]-3-oxopropyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[3-[2-(ethoxymethyl)anilino]-3-oxopropyl]-2,2-dimethylpropanamide (CID 86821848) is N-[3-[2-(ethoxymethyl)anilino]-3-oxopropyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[3-[2-(ethoxymethyl)anilino]-3-oxopropyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[3-[2-(ethoxymethyl)anilino]-3-oxopropyl]-2,2-dimethylpropanamide is CCOCc1ccccc1NC(=O)CCNC(=O)C(C)(C)C.
What is the InChIKey of N-[3-[2-(ethoxymethyl)anilino]-3-oxopropyl]-2,2-dimethylpropanamide?
The InChIKey is WUUMYYJFRQVNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-5-22-12-13-8-6-7-9-14(13)19-15(20)10-11-18-16(21)17(2,3)4/h6-9H,5,10-12H2,1-4H3,(H,18,21)(H,19,20).
What are the key properties of N-[3-[2-(ethoxymethyl)anilino]-3-oxopropyl]-2,2-dimethylpropanamide?
N-[3-[2-(ethoxymethyl)anilino]-3-oxopropyl]-2,2-dimethylpropanamide has a molecular weight of 306.41 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(ethoxymethyl)anilino]-3-oxopropyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 86821848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).