2-[4-(3-methylbutoxy)anilino]-1-morpholin-4-ylethanone

C17H26N2O3 — CID 54821789

IUPAC2-[4-(3-methylbutoxy)anilino]-1-morpholin-4-ylethanone
SMILESCC(C)CCOc1ccc(NCC(=O)N2CCOCC2)cc1
InChIInChI=1S/C17H26N2O3/c1-14(2)7-10-22-16-5-3-15(4-6-16)18-13-17(20)19-8-11-21-12-9-19/h3-6,14,18H,7-13H2,1-2H3
InChIKeyBJXYRHFZSCKNHN-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.38
Rot. Bonds7

About 2-[4-(3-methylbutoxy)anilino]-1-morpholin-4-ylethanone

2-[4-(3-methylbutoxy)anilino]-1-morpholin-4-ylethanone (PubChem CID 54821789) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-[4-(3-methylbutoxy)anilino]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[4-(3-methylbutoxy)anilino]-1-morpholin-4-ylethanone
PubChem CID54821789
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name2-[4-(3-methylbutoxy)anilino]-1-morpholin-4-ylethanone
SMILESCC(C)CCOc1ccc(NCC(=O)N2CCOCC2)cc1
InChIInChI=1S/C17H26N2O3/c1-14(2)7-10-22-16-5-3-15(4-6-16)18-13-17(20)19-8-11-21-12-9-19/h3-6,14,18H,7-13H2,1-2H3
InChIKeyBJXYRHFZSCKNHN-UHFFFAOYSA-N
XLogP2.38
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.38
H-Bond Donors ≤ 51
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

1-morpholin-4-yl-2-(4-prop-2-enoxyanilino)ethanone
CID 54821508
1-morpholin-4-yl-2-[4-(3-phenylpropoxy)anilino]ethanone
CID 54825335
4-(3-methylbutoxy)-N-[4-(morpholine-4-carbonyl)phenyl]benzamide
CID 17194765
methyl 4-[(2-morpholin-4-yl-2-oxoethyl)amino]benzoate
CID 26417352
4-[4-(methylamino)phenoxy]-1-morpholin-4-ylbutan-1-one
CID 61028358
2-(4-methylsulfonylanilino)-1-morpholin-4-ylethanone
CID 28579517
N-[4-(2-methylpropoxy)phenyl]-2-[4-(morpholine-4-carbonyl)anilino]acetamide
CID 54832218
N-[4-(3-methylbutoxy)phenyl]-2-[4-(piperidine-1-carbonyl)anilino]acetamide
CID 54841563
2-(4-butoxyanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide
CID 54820391
N-[4-(3-methylbutoxy)phenyl]-2-(4-propoxyanilino)acetamide
CID 54820417
N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]acetamide
CID 7203468
N-(2-methoxyethyl)-2-[4-(3-methylbutoxy)anilino]acetamide
CID 54821761

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methylbutoxy)anilino]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[4-(3-methylbutoxy)anilino]-1-morpholin-4-ylethanone (CID 54821789) is 2-[4-(3-methylbutoxy)anilino]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[4-(3-methylbutoxy)anilino]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[4-(3-methylbutoxy)anilino]-1-morpholin-4-ylethanone is CC(C)CCOc1ccc(NCC(=O)N2CCOCC2)cc1.
What is the InChIKey of 2-[4-(3-methylbutoxy)anilino]-1-morpholin-4-ylethanone?
The InChIKey is BJXYRHFZSCKNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-14(2)7-10-22-16-5-3-15(4-6-16)18-13-17(20)19-8-11-21-12-9-19/h3-6,14,18H,7-13H2,1-2H3.
What are the key properties of 2-[4-(3-methylbutoxy)anilino]-1-morpholin-4-ylethanone?
2-[4-(3-methylbutoxy)anilino]-1-morpholin-4-ylethanone has a molecular weight of 306.41 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methylbutoxy)anilino]-1-morpholin-4-ylethanone is sourced from PubChem (CID 54821789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).