N-[4-(oxolan-2-ylmethoxy)phenyl]cyclobutanecarboxamide

C16H21NO3 — CID 47251152

IUPACN-[4-(oxolan-2-ylmethoxy)phenyl]cyclobutanecarboxamide
SMILESO=C(Nc1ccc(OCC2CCCO2)cc1)C1CCC1
InChIInChI=1S/C16H21NO3/c18-16(12-3-1-4-12)17-13-6-8-14(9-7-13)20-11-15-5-2-10-19-15/h6-9,12,15H,1-5,10-11H2,(H,17,18)
InChIKeyPBUBVNWPZPTVFL-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.98
Rot. Bonds5

About N-[4-(oxolan-2-ylmethoxy)phenyl]cyclobutanecarboxamide

N-[4-(oxolan-2-ylmethoxy)phenyl]cyclobutanecarboxamide (PubChem CID 47251152) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[4-(oxolan-2-ylmethoxy)phenyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[4-(oxolan-2-ylmethoxy)phenyl]cyclobutanecarboxamide
PubChem CID47251152
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC NameN-[4-(oxolan-2-ylmethoxy)phenyl]cyclobutanecarboxamide
SMILESO=C(Nc1ccc(OCC2CCCO2)cc1)C1CCC1
InChIInChI=1S/C16H21NO3/c18-16(12-3-1-4-12)17-13-6-8-14(9-7-13)20-11-15-5-2-10-19-15/h6-9,12,15H,1-5,10-11H2,(H,17,18)
InChIKeyPBUBVNWPZPTVFL-UHFFFAOYSA-N
XLogP2.98
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[4-(oxolan-2-ylmethoxy)phenyl]cyclohexane-1-carboxamide
CID 119712726
N-[[4-(oxolan-2-ylmethoxy)phenyl]carbamothioyl]cyclopropanecarboxamide
CID 4958027
1,3-bis[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
CID 41436663
N-[4-(oxolan-2-ylmethoxy)phenyl]morpholine-2-carboxamide
CID 119712753
(2S,5R)-5-(aminomethyl)-N-[4-(oxolan-2-ylmethoxy)phenyl]oxolane-2-carboxamide
CID 120786454
N-(4-acetamidophenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 40642293
N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]pyridine-4-carboxamide
CID 7447165
N-[4-(oxolan-2-ylmethoxy)phenyl]-2-phenoxyacetamide
CID 4957890
4-methyl-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 4957909
4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzamide
CID 4786441
2-(cyclopropylmethylamino)-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 119712735
4-amino-N-[4-(oxolan-2-ylmethoxy)phenyl]butanamide
CID 119283533

Frequently Asked Questions

What is the IUPAC name of N-[4-(oxolan-2-ylmethoxy)phenyl]cyclobutanecarboxamide?
The IUPAC name of N-[4-(oxolan-2-ylmethoxy)phenyl]cyclobutanecarboxamide (CID 47251152) is N-[4-(oxolan-2-ylmethoxy)phenyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[4-(oxolan-2-ylmethoxy)phenyl]cyclobutanecarboxamide?
The canonical SMILES for N-[4-(oxolan-2-ylmethoxy)phenyl]cyclobutanecarboxamide is O=C(Nc1ccc(OCC2CCCO2)cc1)C1CCC1.
What is the InChIKey of N-[4-(oxolan-2-ylmethoxy)phenyl]cyclobutanecarboxamide?
The InChIKey is PBUBVNWPZPTVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c18-16(12-3-1-4-12)17-13-6-8-14(9-7-13)20-11-15-5-2-10-19-15/h6-9,12,15H,1-5,10-11H2,(H,17,18).
What are the key properties of N-[4-(oxolan-2-ylmethoxy)phenyl]cyclobutanecarboxamide?
N-[4-(oxolan-2-ylmethoxy)phenyl]cyclobutanecarboxamide has a molecular weight of 275.35 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(oxolan-2-ylmethoxy)phenyl]cyclobutanecarboxamide is sourced from PubChem (CID 47251152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).