N-tert-butyl-3-[2-(4-methoxyphenyl)ethylamino]propanamide

C16H26N2O2 — CID 109025890

IUPACN-tert-butyl-3-[2-(4-methoxyphenyl)ethylamino]propanamide
SMILESCOc1ccc(CCNCCC(=O)NC(C)(C)C)cc1
InChIInChI=1S/C16H26N2O2/c1-16(2,3)18-15(19)10-12-17-11-9-13-5-7-14(20-4)8-6-13/h5-8,17H,9-12H2,1-4H3,(H,18,19)
InChIKeyXUMSYUHGGAQSLM-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.13
Rot. Bonds7

About N-tert-butyl-3-[2-(4-methoxyphenyl)ethylamino]propanamide

N-tert-butyl-3-[2-(4-methoxyphenyl)ethylamino]propanamide (PubChem CID 109025890) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-tert-butyl-3-[2-(4-methoxyphenyl)ethylamino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-[2-(4-methoxyphenyl)ethylamino]propanamide
PubChem CID109025890
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-tert-butyl-3-[2-(4-methoxyphenyl)ethylamino]propanamide
SMILESCOc1ccc(CCNCCC(=O)NC(C)(C)C)cc1
InChIInChI=1S/C16H26N2O2/c1-16(2,3)18-15(19)10-12-17-11-9-13-5-7-14(20-4)8-6-13/h5-8,17H,9-12H2,1-4H3,(H,18,19)
InChIKeyXUMSYUHGGAQSLM-UHFFFAOYSA-N
XLogP2.13
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-3-[1-(4-methoxyphenyl)propan-2-ylamino]propanamide
CID 115889425
N-(1-hydroxy-2-methylpropan-2-yl)-3-(4-methoxyphenyl)propanamide
CID 43390565
3-[2-(4-chlorophenyl)ethylamino]-N-(4-methoxyphenyl)propanamide
CID 109028071
N-[2-(4-methoxyphenyl)ethyl]-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109022424
N-(2,6-difluorophenyl)-3-[2-(4-methoxyphenyl)ethylamino]propanamide
CID 109025996
N-(5-chloro-2-methylphenyl)-3-[2-(4-methoxyphenyl)ethylamino]propanamide
CID 109025931
N-tert-butyl-N'-[2-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide
CID 108964427
3-[2-(4-methoxyphenyl)ethylamino]-N-(4-phenoxyphenyl)propanamide
CID 109025969
N-tert-butyl-3-[2-(4-methoxyphenyl)ethyl-methylsulfonylamino]propanamide
CID 113140479
N-tert-butyl-2-[2-methoxy-6-[[2-(4-methoxyphenyl)ethylamino]methyl]phenoxy]acetamide
CID 17053447
N-tert-butyl-3-[2-(3-chlorophenyl)ethylamino]propanamide
CID 109031314
2-[2-(4-methoxyphenyl)ethylamino]ethyl carbamate
CID 83210163

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[2-(4-methoxyphenyl)ethylamino]propanamide?
The IUPAC name of N-tert-butyl-3-[2-(4-methoxyphenyl)ethylamino]propanamide (CID 109025890) is N-tert-butyl-3-[2-(4-methoxyphenyl)ethylamino]propanamide.
What is the SMILES notation for N-tert-butyl-3-[2-(4-methoxyphenyl)ethylamino]propanamide?
The canonical SMILES for N-tert-butyl-3-[2-(4-methoxyphenyl)ethylamino]propanamide is COc1ccc(CCNCCC(=O)NC(C)(C)C)cc1.
What is the InChIKey of N-tert-butyl-3-[2-(4-methoxyphenyl)ethylamino]propanamide?
The InChIKey is XUMSYUHGGAQSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-16(2,3)18-15(19)10-12-17-11-9-13-5-7-14(20-4)8-6-13/h5-8,17H,9-12H2,1-4H3,(H,18,19).
What are the key properties of N-tert-butyl-3-[2-(4-methoxyphenyl)ethylamino]propanamide?
N-tert-butyl-3-[2-(4-methoxyphenyl)ethylamino]propanamide has a molecular weight of 278.40 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[2-(4-methoxyphenyl)ethylamino]propanamide is sourced from PubChem (CID 109025890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).