2-(4-butoxyanilino)-N-(oxolan-2-ylmethyl)acetamide

C17H26N2O3 — CID 54820456

IUPAC2-(4-butoxyanilino)-N-(oxolan-2-ylmethyl)acetamide
SMILESCCCCOc1ccc(NCC(=O)NCC2CCCO2)cc1
InChIInChI=1S/C17H26N2O3/c1-2-3-10-21-15-8-6-14(7-9-15)18-13-17(20)19-12-16-5-4-11-22-16/h6-9,16,18H,2-5,10-13H2,1H3,(H,19,20)
InChIKeyOWSLBNQMSFGRMW-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.57
Rot. Bonds9

About 2-(4-butoxyanilino)-N-(oxolan-2-ylmethyl)acetamide

2-(4-butoxyanilino)-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 54820456) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-(4-butoxyanilino)-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-butoxyanilino)-N-(oxolan-2-ylmethyl)acetamide
PubChem CID54820456
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name2-(4-butoxyanilino)-N-(oxolan-2-ylmethyl)acetamide
SMILESCCCCOc1ccc(NCC(=O)NCC2CCCO2)cc1
InChIInChI=1S/C17H26N2O3/c1-2-3-10-21-15-8-6-14(7-9-15)18-13-17(20)19-12-16-5-4-11-22-16/h6-9,16,18H,2-5,10-13H2,1H3,(H,19,20)
InChIKeyOWSLBNQMSFGRMW-UHFFFAOYSA-N
XLogP2.57
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
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'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-ethoxyanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 54811659
4-[[2-(4-butoxyanilino)-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54836443
N-(oxolan-2-ylmethyl)-4-[[2-(4-propoxyanilino)acetyl]amino]benzamide
CID 54822674
N-(oxolan-2-ylmethyl)-2-(3-propoxyanilino)acetamide
CID 54825001
N-(4-heptoxyphenyl)-2-[4-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54821326
4-[[2-(4-ethoxyanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54811294
N,N-diethyl-4-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]benzamide
CID 54834167
N,N-dimethyl-4-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]benzamide
CID 54840683
3-(4-butoxyphenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide
CID 2792148
N-(2-methoxyethyl)-4-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]benzamide
CID 54835847
N-(oxolan-2-ylmethyl)-N'-(4-propoxyphenyl)oxamide
CID 2926686
N-(oxolan-2-ylmethyl)-4-[[2-oxo-2-[4-(2-phenoxyethoxy)anilino]ethyl]amino]benzamide
CID 54836568

Frequently Asked Questions

What is the IUPAC name of 2-(4-butoxyanilino)-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(4-butoxyanilino)-N-(oxolan-2-ylmethyl)acetamide (CID 54820456) is 2-(4-butoxyanilino)-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-butoxyanilino)-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4-butoxyanilino)-N-(oxolan-2-ylmethyl)acetamide is CCCCOc1ccc(NCC(=O)NCC2CCCO2)cc1.
What is the InChIKey of 2-(4-butoxyanilino)-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is OWSLBNQMSFGRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-2-3-10-21-15-8-6-14(7-9-15)18-13-17(20)19-12-16-5-4-11-22-16/h6-9,16,18H,2-5,10-13H2,1H3,(H,19,20).
What are the key properties of 2-(4-butoxyanilino)-N-(oxolan-2-ylmethyl)acetamide?
2-(4-butoxyanilino)-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 306.41 g/mol, XLogP of 2.57, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butoxyanilino)-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 54820456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).