N-(2,2-dimethoxyethyl)-3-[2-[3-(ethylaminomethyl)phenyl]ethoxy]-N-methylpropanamide

C19H32N2O4 — CID 134394771

IUPACN-(2,2-dimethoxyethyl)-3-[2-[3-(ethylaminomethyl)phenyl]ethoxy]-N-methylpropanamide
SMILESCCNCc1cccc(CCOCCC(=O)N(C)CC(OC)OC)c1
InChIInChI=1S/C19H32N2O4/c1-5-20-14-17-8-6-7-16(13-17)9-11-25-12-10-18(22)21(2)15-19(23-3)24-4/h6-8,13,19-20H,5,9-12,14-15H2,1-4H3
InChIKeyIVRSHRINTYISHR-UHFFFAOYSA-N
MW352.48 g/mol
LogP1.82
Rot. Bonds13

About N-(2,2-dimethoxyethyl)-3-[2-[3-(ethylaminomethyl)phenyl]ethoxy]-N-methylpropanamide

N-(2,2-dimethoxyethyl)-3-[2-[3-(ethylaminomethyl)phenyl]ethoxy]-N-methylpropanamide (PubChem CID 134394771) has the molecular formula C19H32N2O4 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-3-[2-[3-(ethylaminomethyl)phenyl]ethoxy]-N-methylpropanamide.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-3-[2-[3-(ethylaminomethyl)phenyl]ethoxy]-N-methylpropanamide
PubChem CID134394771
Molecular FormulaC19H32N2O4
Molecular Weight352.48 g/mol
Exact Mass352.24
IUPAC NameN-(2,2-dimethoxyethyl)-3-[2-[3-(ethylaminomethyl)phenyl]ethoxy]-N-methylpropanamide
SMILESCCNCc1cccc(CCOCCC(=O)N(C)CC(OC)OC)c1
InChIInChI=1S/C19H32N2O4/c1-5-20-14-17-8-6-7-16(13-17)9-11-25-12-10-18(22)21(2)15-19(23-3)24-4/h6-8,13,19-20H,5,9-12,14-15H2,1-4H3
InChIKeyIVRSHRINTYISHR-UHFFFAOYSA-N
XLogP1.82
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-3-[2-[3-(ethylaminomethyl)phenyl]ethoxy]-N-methylpropanamide?
The IUPAC name of N-(2,2-dimethoxyethyl)-3-[2-[3-(ethylaminomethyl)phenyl]ethoxy]-N-methylpropanamide (CID 134394771) is N-(2,2-dimethoxyethyl)-3-[2-[3-(ethylaminomethyl)phenyl]ethoxy]-N-methylpropanamide.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-3-[2-[3-(ethylaminomethyl)phenyl]ethoxy]-N-methylpropanamide?
The canonical SMILES for N-(2,2-dimethoxyethyl)-3-[2-[3-(ethylaminomethyl)phenyl]ethoxy]-N-methylpropanamide is CCNCc1cccc(CCOCCC(=O)N(C)CC(OC)OC)c1.
What is the InChIKey of N-(2,2-dimethoxyethyl)-3-[2-[3-(ethylaminomethyl)phenyl]ethoxy]-N-methylpropanamide?
The InChIKey is IVRSHRINTYISHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O4/c1-5-20-14-17-8-6-7-16(13-17)9-11-25-12-10-18(22)21(2)15-19(23-3)24-4/h6-8,13,19-20H,5,9-12,14-15H2,1-4H3.
What are the key properties of N-(2,2-dimethoxyethyl)-3-[2-[3-(ethylaminomethyl)phenyl]ethoxy]-N-methylpropanamide?
N-(2,2-dimethoxyethyl)-3-[2-[3-(ethylaminomethyl)phenyl]ethoxy]-N-methylpropanamide has a molecular weight of 352.48 g/mol, XLogP of 1.82, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-3-[2-[3-(ethylaminomethyl)phenyl]ethoxy]-N-methylpropanamide is sourced from PubChem (CID 134394771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).