2-(4-tert-butylphenoxy)-N,N-diethylpropanamide

C17H27NO2 — CID 19204171

IUPAC2-(4-tert-butylphenoxy)-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)Oc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H27NO2/c1-7-18(8-2)16(19)13(3)20-15-11-9-14(10-12-15)17(4,5)6/h9-13H,7-8H2,1-6H3
InChIKeyPYHNFADQTXSFSA-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.62
Rot. Bonds5

About 2-(4-tert-butylphenoxy)-N,N-diethylpropanamide

2-(4-tert-butylphenoxy)-N,N-diethylpropanamide (PubChem CID 19204171) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N,N-diethylpropanamide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N,N-diethylpropanamide
PubChem CID19204171
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-(4-tert-butylphenoxy)-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)Oc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H27NO2/c1-7-18(8-2)16(19)13(3)20-15-11-9-14(10-12-15)17(4,5)6/h9-13H,7-8H2,1-6H3
InChIKeyPYHNFADQTXSFSA-UHFFFAOYSA-N
XLogP3.62
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(4-tert-butylphenoxy)-N,N-diethylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[(1S)-1-aminoethyl]phenoxy]-N,N-diethylpropanamide
CID 63367483
2-(4-cyanophenoxy)-N,N-diethylpropanamide
CID 43083146
N,N-diethyl-2-[4-[1-(ethylamino)ethyl]phenoxy]propanamide
CID 43279277
(2R)-2-(4-tert-butylphenoxy)-N-ethylpropanamide
CID 94033716
2-(4-tert-butylphenoxy)propanoate
CID 71431991
(2R)-2-(3,5-dimethylphenoxy)-N,N-diethylpropanamide
CID 9173438
(2S)-2-(3-chlorophenoxy)-N,N-diethylpropanamide
CID 40538344
N,N-diethyl-2-(3-methoxyphenoxy)propanamide
CID 19203980
2-(1,3-benzodioxol-5-yloxy)-N,N-diethylpropanamide
CID 45147826
methyl 2-[ethyl-[2-(4-methoxyphenoxy)propanoyl]amino]acetate
CID 61383641
N,N-diethyl-2-(7-hydroxynaphthalen-2-yl)oxypropanamide
CID 43143630
4-[2-(4-tert-butylphenoxy)propanoyl-methylamino]butanoic acid
CID 119172580

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N,N-diethylpropanamide?
The IUPAC name of 2-(4-tert-butylphenoxy)-N,N-diethylpropanamide (CID 19204171) is 2-(4-tert-butylphenoxy)-N,N-diethylpropanamide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N,N-diethylpropanamide?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N,N-diethylpropanamide is CCN(CC)C(=O)C(C)Oc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N,N-diethylpropanamide?
The InChIKey is PYHNFADQTXSFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-7-18(8-2)16(19)13(3)20-15-11-9-14(10-12-15)17(4,5)6/h9-13H,7-8H2,1-6H3.
What are the key properties of 2-(4-tert-butylphenoxy)-N,N-diethylpropanamide?
2-(4-tert-butylphenoxy)-N,N-diethylpropanamide has a molecular weight of 277.41 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-N,N-diethylpropanamide is sourced from PubChem (CID 19204171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).