N-(3-hydroxycyclobutyl)-4-(oxan-4-yloxy)benzamide

C16H21NO4 — CID 136582746

IUPACN-(3-hydroxycyclobutyl)-4-(oxan-4-yloxy)benzamide
SMILESO=C(NC1CC(O)C1)c1ccc(OC2CCOCC2)cc1
InChIInChI=1S/C16H21NO4/c18-13-9-12(10-13)17-16(19)11-1-3-14(4-2-11)21-15-5-7-20-8-6-15/h1-4,12-13,15,18H,5-10H2,(H,17,19)
InChIKeyWCCQGYNUUXMMJL-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.50
Rot. Bonds4

About N-(3-hydroxycyclobutyl)-4-(oxan-4-yloxy)benzamide

N-(3-hydroxycyclobutyl)-4-(oxan-4-yloxy)benzamide (PubChem CID 136582746) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-(3-hydroxycyclobutyl)-4-(oxan-4-yloxy)benzamide.

Molecular Properties

Compound NameN-(3-hydroxycyclobutyl)-4-(oxan-4-yloxy)benzamide
PubChem CID136582746
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC NameN-(3-hydroxycyclobutyl)-4-(oxan-4-yloxy)benzamide
SMILESO=C(NC1CC(O)C1)c1ccc(OC2CCOCC2)cc1
InChIInChI=1S/C16H21NO4/c18-13-9-12(10-13)17-16(19)11-1-3-14(4-2-11)21-15-5-7-20-8-6-15/h1-4,12-13,15,18H,5-10H2,(H,17,19)
InChIKeyWCCQGYNUUXMMJL-UHFFFAOYSA-N
XLogP1.50
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(oxan-4-yloxy)phenyl]ethanone
CID 61288786
4-[[4-(oxan-4-yloxy)benzoyl]amino]butanoic acid
CID 119171028
2-methyl-2-[[4-(oxan-4-yloxy)benzoyl]amino]propanoic acid
CID 119187857
7-[[4-(oxan-4-yloxy)benzoyl]amino]heptanoic acid
CID 119227603
N-[(1S,3S)-3-hydroxycyclohexyl]-4-methoxybenzamide
CID 95983830
3-methyl-2-[[4-(oxan-4-yloxy)benzoyl]amino]butanoic acid
CID 119170374
2-[2-[[4-(oxan-4-yloxy)benzoyl]amino]ethylsulfanyl]acetic acid
CID 119242540
N-[2-(methylamino)propyl]-4-(oxan-4-yloxy)benzamide
CID 120827577
2-methyl-4-[[4-(oxan-4-yloxy)benzoyl]amino]benzoic acid
CID 119240450
4-cyclopentyloxy-N-(5-oxa-2-azaspiro[3.4]octan-7-yl)benzamide
CID 167974000
4-[(3R)-oxolan-3-yl]oxybenzoic acid
CID 95979365
2-methyl-2-[[4-(oxan-4-yloxy)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 120545390

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxycyclobutyl)-4-(oxan-4-yloxy)benzamide?
The IUPAC name of N-(3-hydroxycyclobutyl)-4-(oxan-4-yloxy)benzamide (CID 136582746) is N-(3-hydroxycyclobutyl)-4-(oxan-4-yloxy)benzamide.
What is the SMILES notation for N-(3-hydroxycyclobutyl)-4-(oxan-4-yloxy)benzamide?
The canonical SMILES for N-(3-hydroxycyclobutyl)-4-(oxan-4-yloxy)benzamide is O=C(NC1CC(O)C1)c1ccc(OC2CCOCC2)cc1.
What is the InChIKey of N-(3-hydroxycyclobutyl)-4-(oxan-4-yloxy)benzamide?
The InChIKey is WCCQGYNUUXMMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c18-13-9-12(10-13)17-16(19)11-1-3-14(4-2-11)21-15-5-7-20-8-6-15/h1-4,12-13,15,18H,5-10H2,(H,17,19).
What are the key properties of N-(3-hydroxycyclobutyl)-4-(oxan-4-yloxy)benzamide?
N-(3-hydroxycyclobutyl)-4-(oxan-4-yloxy)benzamide has a molecular weight of 291.35 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxycyclobutyl)-4-(oxan-4-yloxy)benzamide is sourced from PubChem (CID 136582746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).