N-[4-(3-methylbutanoylamino)phenyl]oxane-4-carboxamide

C17H24N2O3 — CID 30753597

IUPACN-[4-(3-methylbutanoylamino)phenyl]oxane-4-carboxamide
SMILESCC(C)CC(=O)Nc1ccc(NC(=O)C2CCOCC2)cc1
InChIInChI=1S/C17H24N2O3/c1-12(2)11-16(20)18-14-3-5-15(6-4-14)19-17(21)13-7-9-22-10-8-13/h3-6,12-13H,7-11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyLMWBRLVDRNDTIU-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.04
Rot. Bonds5

About N-[4-(3-methylbutanoylamino)phenyl]oxane-4-carboxamide

N-[4-(3-methylbutanoylamino)phenyl]oxane-4-carboxamide (PubChem CID 30753597) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-[4-(3-methylbutanoylamino)phenyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[4-(3-methylbutanoylamino)phenyl]oxane-4-carboxamide
PubChem CID30753597
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC NameN-[4-(3-methylbutanoylamino)phenyl]oxane-4-carboxamide
SMILESCC(C)CC(=O)Nc1ccc(NC(=O)C2CCOCC2)cc1
InChIInChI=1S/C17H24N2O3/c1-12(2)11-16(20)18-14-3-5-15(6-4-14)19-17(21)13-7-9-22-10-8-13/h3-6,12-13H,7-11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyLMWBRLVDRNDTIU-UHFFFAOYSA-N
XLogP3.04
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(3-methylbutanoylamino)phenyl]cyclopropanecarboxamide
CID 17193989
N-[4-(cyclopropanecarbonylamino)phenyl]oxane-4-carboxamide
CID 30179617
N-[4-[[2-amino-2-(oxan-4-yl)acetyl]amino]phenyl]-3-methylbutanamide
CID 120785588
N-[4-(diethylamino)phenyl]oxane-4-carboxamide
CID 51188941
N-[4-[3-(ethylamino)butanoylamino]phenyl]cyclopropanecarboxamide
CID 62839619
N-[4-[[(3S)-3-phenylbutanoyl]amino]phenyl]cyclopropanecarboxamide
CID 40790954
3-amino-N-[4-(oxan-4-ylamino)phenyl]butanamide
CID 119873635
N-[4-(3-methylbutanoylamino)phenyl]pyrrolidine-2-carboxamide
CID 60727380
N-[4-(3-methylbutanoylamino)phenyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 46597202
N-[4-(3-methylbutanoylsulfamoyl)phenyl]cyclohexanecarboxamide
CID 1116699
N-(4-pyrrolidin-1-ylphenyl)oxane-4-carboxamide
CID 30795120
N-[4-[[2-(propan-2-ylamino)acetyl]amino]phenyl]cyclopropanecarboxamide
CID 61254791

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methylbutanoylamino)phenyl]oxane-4-carboxamide?
The IUPAC name of N-[4-(3-methylbutanoylamino)phenyl]oxane-4-carboxamide (CID 30753597) is N-[4-(3-methylbutanoylamino)phenyl]oxane-4-carboxamide.
What is the SMILES notation for N-[4-(3-methylbutanoylamino)phenyl]oxane-4-carboxamide?
The canonical SMILES for N-[4-(3-methylbutanoylamino)phenyl]oxane-4-carboxamide is CC(C)CC(=O)Nc1ccc(NC(=O)C2CCOCC2)cc1.
What is the InChIKey of N-[4-(3-methylbutanoylamino)phenyl]oxane-4-carboxamide?
The InChIKey is LMWBRLVDRNDTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-12(2)11-16(20)18-14-3-5-15(6-4-14)19-17(21)13-7-9-22-10-8-13/h3-6,12-13H,7-11H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N-[4-(3-methylbutanoylamino)phenyl]oxane-4-carboxamide?
N-[4-(3-methylbutanoylamino)phenyl]oxane-4-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methylbutanoylamino)phenyl]oxane-4-carboxamide is sourced from PubChem (CID 30753597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).