3-(4-tert-butylphenyl)-N-[2-(methylamino)ethyl]propanamide

C16H26N2O — CID 119500998

IUPAC3-(4-tert-butylphenyl)-N-[2-(methylamino)ethyl]propanamide
SMILESCNCCNC(=O)CCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H26N2O/c1-16(2,3)14-8-5-13(6-9-14)7-10-15(19)18-12-11-17-4/h5-6,8-9,17H,7,10-12H2,1-4H3,(H,18,19)
InChIKeyNKGYREPHMFDSSY-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.25
Rot. Bonds6

About 3-(4-tert-butylphenyl)-N-[2-(methylamino)ethyl]propanamide

3-(4-tert-butylphenyl)-N-[2-(methylamino)ethyl]propanamide (PubChem CID 119500998) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-N-[2-(methylamino)ethyl]propanamide.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-N-[2-(methylamino)ethyl]propanamide
PubChem CID119500998
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name3-(4-tert-butylphenyl)-N-[2-(methylamino)ethyl]propanamide
SMILESCNCCNC(=O)CCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H26N2O/c1-16(2,3)14-8-5-13(6-9-14)7-10-15(19)18-12-11-17-4/h5-6,8-9,17H,7,10-12H2,1-4H3,(H,18,19)
InChIKeyNKGYREPHMFDSSY-UHFFFAOYSA-N
XLogP2.25
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(4-tert-butylphenyl)-N-[2-(methylamino)ethyl]pentanamide;hydrochloride
CID 119501450
N-[2-(methylamino)ethyl]-3-(4-propoxyphenyl)propanamide
CID 119502671
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-3-(4-tert-butylphenyl)propanamide
CID 110626354
4-[3-[3-(4-tert-butylphenyl)propylamino]-3-oxopropyl]-N,N-dimethylbenzamide
CID 110307736
3-(4-tert-butylphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
CID 9301786
3-[2-(4-tert-butylphenyl)ethylcarbamoylamino]-N-propylpropanamide
CID 87037217
3-(4-tert-butylphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide
CID 110624727
N-(3-aminopropyl)-5-(4-tert-butylphenyl)pentanamide
CID 119406266
7-amino-N-[2-(4-tert-butylphenyl)ethyl]heptanamide
CID 119706715
3-(4-bromo-3-methylphenyl)-N-[2-(methylamino)ethyl]propanamide
CID 119501581
3-(4-tert-butylphenyl)-N-[2-(2-methyl-1,3-dioxan-2-yl)ethyl]propanamide
CID 110369819
N-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]-3,3-dimethylbutanamide
CID 108574334

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-N-[2-(methylamino)ethyl]propanamide?
The IUPAC name of 3-(4-tert-butylphenyl)-N-[2-(methylamino)ethyl]propanamide (CID 119500998) is 3-(4-tert-butylphenyl)-N-[2-(methylamino)ethyl]propanamide.
What is the SMILES notation for 3-(4-tert-butylphenyl)-N-[2-(methylamino)ethyl]propanamide?
The canonical SMILES for 3-(4-tert-butylphenyl)-N-[2-(methylamino)ethyl]propanamide is CNCCNC(=O)CCc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 3-(4-tert-butylphenyl)-N-[2-(methylamino)ethyl]propanamide?
The InChIKey is NKGYREPHMFDSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-16(2,3)14-8-5-13(6-9-14)7-10-15(19)18-12-11-17-4/h5-6,8-9,17H,7,10-12H2,1-4H3,(H,18,19).
What are the key properties of 3-(4-tert-butylphenyl)-N-[2-(methylamino)ethyl]propanamide?
3-(4-tert-butylphenyl)-N-[2-(methylamino)ethyl]propanamide has a molecular weight of 262.40 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)-N-[2-(methylamino)ethyl]propanamide is sourced from PubChem (CID 119500998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).