2-(tert-butylamino)-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide

C17H26N2O3 — CID 54813717

IUPAC2-(tert-butylamino)-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide
SMILESCC(C)(C)NCC(=O)Nc1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C17H26N2O3/c1-17(2,3)18-11-16(20)19-13-6-8-14(9-7-13)22-12-15-5-4-10-21-15/h6-9,15,18H,4-5,10-12H2,1-3H3,(H,19,20)
InChIKeyDBRGQMKTXQHIGA-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.57
Rot. Bonds6

About 2-(tert-butylamino)-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide

2-(tert-butylamino)-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide (PubChem CID 54813717) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-(tert-butylamino)-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(tert-butylamino)-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide
PubChem CID54813717
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name2-(tert-butylamino)-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide
SMILESCC(C)(C)NCC(=O)Nc1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C17H26N2O3/c1-17(2,3)18-11-16(20)19-13-6-8-14(9-7-13)22-12-15-5-4-10-21-15/h6-9,15,18H,4-5,10-12H2,1-3H3,(H,19,20)
InChIKeyDBRGQMKTXQHIGA-UHFFFAOYSA-N
XLogP2.57
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylmethylamino)-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 119712735
methyl 4-[[2-oxo-2-[4-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzoate
CID 54816958
2-(4-tert-butylphenoxy)-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 4957983
N-tert-butyl-2-[4-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54821618
1,3-bis[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
CID 41436663
N-(4-heptoxyphenyl)-2-[4-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54821326
N-ethyl-4-[[2-[4-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide
CID 54821366
2-ethoxy-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 131944561
2-(3,5-dimethylphenoxy)-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 4957867
2-(3,4-dimethylphenoxy)-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 9295499
4-[[2-[4-(oxolan-2-ylmethoxy)anilino]acetyl]amino]-N-propylbenzamide
CID 54821594
propyl 4-[[2-[4-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzoate
CID 54821487

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide?
The IUPAC name of 2-(tert-butylamino)-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide (CID 54813717) is 2-(tert-butylamino)-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(tert-butylamino)-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide?
The canonical SMILES for 2-(tert-butylamino)-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide is CC(C)(C)NCC(=O)Nc1ccc(OCC2CCCO2)cc1.
What is the InChIKey of 2-(tert-butylamino)-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide?
The InChIKey is DBRGQMKTXQHIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-17(2,3)18-11-16(20)19-13-6-8-14(9-7-13)22-12-15-5-4-10-21-15/h6-9,15,18H,4-5,10-12H2,1-3H3,(H,19,20).
What are the key properties of 2-(tert-butylamino)-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide?
2-(tert-butylamino)-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide has a molecular weight of 306.41 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide is sourced from PubChem (CID 54813717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).