N-tert-butyl-2-[4-(oxolan-2-ylmethoxy)anilino]acetamide

C17H26N2O3 — CID 54821618

IUPACN-tert-butyl-2-[4-(oxolan-2-ylmethoxy)anilino]acetamide
SMILESCC(C)(C)NC(=O)CNc1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C17H26N2O3/c1-17(2,3)19-16(20)11-18-13-6-8-14(9-7-13)22-12-15-5-4-10-21-15/h6-9,15,18H,4-5,10-12H2,1-3H3,(H,19,20)
InChIKeyLUPSHQLOTAJDFC-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.57
Rot. Bonds6

About N-tert-butyl-2-[4-(oxolan-2-ylmethoxy)anilino]acetamide

N-tert-butyl-2-[4-(oxolan-2-ylmethoxy)anilino]acetamide (PubChem CID 54821618) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-tert-butyl-2-[4-(oxolan-2-ylmethoxy)anilino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[4-(oxolan-2-ylmethoxy)anilino]acetamide
PubChem CID54821618
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC NameN-tert-butyl-2-[4-(oxolan-2-ylmethoxy)anilino]acetamide
SMILESCC(C)(C)NC(=O)CNc1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C17H26N2O3/c1-17(2,3)19-16(20)11-18-13-6-8-14(9-7-13)22-12-15-5-4-10-21-15/h6-9,15,18H,4-5,10-12H2,1-3H3,(H,19,20)
InChIKeyLUPSHQLOTAJDFC-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(tert-butylamino)-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54813717
methyl 4-[[2-oxo-2-[4-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzoate
CID 54816958
N-(2,4-dimethylphenyl)-2-[4-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54821256
N-ethyl-4-[[2-[4-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide
CID 54821366
N-(4-heptoxyphenyl)-2-[4-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54821326
2-[4-(oxolan-2-ylmethoxy)anilino]-N-[4-(piperidine-1-carbonyl)phenyl]acetamide
CID 54821595
N-(tert-butylcarbamoyl)-2-[4-(oxolan-2-ylmethoxy)anilino]propanamide
CID 47065380
N-(3-chloro-2-methylphenyl)-2-[4-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54821519
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
3-methyl-N-[4-[[2-[4-(oxolan-2-ylmethoxy)anilino]acetyl]amino]phenyl]benzamide
CID 54821431
1,3-bis[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
CID 41436663

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[4-(oxolan-2-ylmethoxy)anilino]acetamide?
The IUPAC name of N-tert-butyl-2-[4-(oxolan-2-ylmethoxy)anilino]acetamide (CID 54821618) is N-tert-butyl-2-[4-(oxolan-2-ylmethoxy)anilino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[4-(oxolan-2-ylmethoxy)anilino]acetamide?
The canonical SMILES for N-tert-butyl-2-[4-(oxolan-2-ylmethoxy)anilino]acetamide is CC(C)(C)NC(=O)CNc1ccc(OCC2CCCO2)cc1.
What is the InChIKey of N-tert-butyl-2-[4-(oxolan-2-ylmethoxy)anilino]acetamide?
The InChIKey is LUPSHQLOTAJDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-17(2,3)19-16(20)11-18-13-6-8-14(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 N-tert-butyl-2-[4-(oxolan-2-ylmethoxy)anilino]acetamide?
N-tert-butyl-2-[4-(oxolan-2-ylmethoxy)anilino]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 N-tert-butyl-2-[4-(oxolan-2-ylmethoxy)anilino]acetamide is sourced from PubChem (CID 54821618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).