N-[3-[ethyl(2-propan-2-yloxyethyl)amino]phenyl]propanamide

C16H26N2O2 — CID 71331392

IUPACN-[3-[ethyl(2-propan-2-yloxyethyl)amino]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(N(CC)CCOC(C)C)c1
InChIInChI=1S/C16H26N2O2/c1-5-16(19)17-14-8-7-9-15(12-14)18(6-2)10-11-20-13(3)4/h7-9,12-13H,5-6,10-11H2,1-4H3,(H,17,19)
InChIKeyURLNOCSUCBIEGV-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.29
Rot. Bonds8

About N-[3-[ethyl(2-propan-2-yloxyethyl)amino]phenyl]propanamide

N-[3-[ethyl(2-propan-2-yloxyethyl)amino]phenyl]propanamide (PubChem CID 71331392) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[3-[ethyl(2-propan-2-yloxyethyl)amino]phenyl]propanamide.

Molecular Properties

Compound NameN-[3-[ethyl(2-propan-2-yloxyethyl)amino]phenyl]propanamide
PubChem CID71331392
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-[3-[ethyl(2-propan-2-yloxyethyl)amino]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(N(CC)CCOC(C)C)c1
InChIInChI=1S/C16H26N2O2/c1-5-16(19)17-14-8-7-9-15(12-14)18(6-2)10-11-20-13(3)4/h7-9,12-13H,5-6,10-11H2,1-4H3,(H,17,19)
InChIKeyURLNOCSUCBIEGV-UHFFFAOYSA-N
XLogP3.29
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[ethyl(2-hydroxyethyl)amino]phenyl]-2-hydroxyacetamide
CID 21495863
3-(propanoylamino)-N-(3-propan-2-yloxypropyl)benzamide
CID 17309759
N-ethyl-3,4-difluoro-N-(2-propan-2-yloxyethyl)aniline
CID 78903119
3-[(2S)-4-methylpentan-2-yl]oxy-N-[3-(propanoylamino)phenyl]propanamide
CID 97050782
3-(N-ethyl-3-methylanilino)-N-(4-propan-2-yloxyphenyl)propanamide
CID 109040250
N-(3-aminophenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]acetamide
CID 81058953
N-[2-oxo-2-[3-(2-propan-2-yloxyethoxymethyl)anilino]ethyl]propanamide
CID 86861957
N-[3-[2-cyanoethyl(prop-2-enyl)amino]phenyl]propanamide
CID 54487133
2-(N-ethylanilino)ethyl N-(3-aminophenyl)carbamate
CID 154358903
N-(3-butan-2-ylphenyl)propanamide
CID 139481795
[3-(propanoylamino)phenyl] N-(2-ethoxyethyl)-N-phenylcarbamate
CID 54282539
N-[3-(1-hydroxyethyl)phenyl]-2-propan-2-yloxyacetamide
CID 112603236

Frequently Asked Questions

What is the IUPAC name of N-[3-[ethyl(2-propan-2-yloxyethyl)amino]phenyl]propanamide?
The IUPAC name of N-[3-[ethyl(2-propan-2-yloxyethyl)amino]phenyl]propanamide (CID 71331392) is N-[3-[ethyl(2-propan-2-yloxyethyl)amino]phenyl]propanamide.
What is the SMILES notation for N-[3-[ethyl(2-propan-2-yloxyethyl)amino]phenyl]propanamide?
The canonical SMILES for N-[3-[ethyl(2-propan-2-yloxyethyl)amino]phenyl]propanamide is CCC(=O)Nc1cccc(N(CC)CCOC(C)C)c1.
What is the InChIKey of N-[3-[ethyl(2-propan-2-yloxyethyl)amino]phenyl]propanamide?
The InChIKey is URLNOCSUCBIEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-5-16(19)17-14-8-7-9-15(12-14)18(6-2)10-11-20-13(3)4/h7-9,12-13H,5-6,10-11H2,1-4H3,(H,17,19).
What are the key properties of N-[3-[ethyl(2-propan-2-yloxyethyl)amino]phenyl]propanamide?
N-[3-[ethyl(2-propan-2-yloxyethyl)amino]phenyl]propanamide has a molecular weight of 278.40 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[ethyl(2-propan-2-yloxyethyl)amino]phenyl]propanamide is sourced from PubChem (CID 71331392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).