N-[(1-hydroxycyclobutyl)methyl]-3,4,5-trimethoxybenzamide

C15H21NO5 — CID 115643433

IUPACN-[(1-hydroxycyclobutyl)methyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NCC2(O)CCC2)cc(OC)c1OC
InChIInChI=1S/C15H21NO5/c1-19-11-7-10(8-12(20-2)13(11)21-3)14(17)16-9-15(18)5-4-6-15/h7-8,18H,4-6,9H2,1-3H3,(H,16,17)
InChIKeyBXSLCMMNZJKJCY-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.36
Rot. Bonds6

About N-[(1-hydroxycyclobutyl)methyl]-3,4,5-trimethoxybenzamide

N-[(1-hydroxycyclobutyl)methyl]-3,4,5-trimethoxybenzamide (PubChem CID 115643433) has the molecular formula C15H21NO5 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-[(1-hydroxycyclobutyl)methyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclobutyl)methyl]-3,4,5-trimethoxybenzamide
PubChem CID115643433
Molecular FormulaC15H21NO5
Molecular Weight295.34 g/mol
Exact Mass295.14
IUPAC NameN-[(1-hydroxycyclobutyl)methyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NCC2(O)CCC2)cc(OC)c1OC
InChIInChI=1S/C15H21NO5/c1-19-11-7-10(8-12(20-2)13(11)21-3)14(17)16-9-15(18)5-4-6-15/h7-8,18H,4-6,9H2,1-3H3,(H,16,17)
InChIKeyBXSLCMMNZJKJCY-UHFFFAOYSA-N
XLogP1.36
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(dimethylamino)cyclopentyl]methyl]-3,4,5-trimethoxybenzamide
CID 39915609
3,5-dichloro-N-[(1-hydroxycyclohexyl)methyl]-4-methoxybenzamide
CID 64866551
3,5-difluoro-N-[(1-hydroxycyclohexyl)methyl]-4-methoxybenzamide
CID 59356128
N-[[1-(dimethylamino)cyclohexyl]methyl]-3,4,5-trimethoxybenzamide;hydrochloride
CID 21409874
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3,4,5-trimethoxybenzamide
CID 42265991
2-amino-N-[(1-hydroxycyclopentyl)methyl]-4,5-dimethoxybenzamide
CID 65103770
3,5-dihydroxy-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 104939070
2-hydroxy-N-[(1-hydroxycyclobutyl)methyl]-3-methoxybenzamide
CID 113248973
N-[[1-(aminomethyl)cyclopentyl]methyl]-3,4-dimethoxybenzamide
CID 115365522
methyl N-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]carbamate
CID 108570777
N-(4-amino-4-oxobutyl)-3,4,5-trimethoxybenzamide
CID 5235271
3,4,5-trimethoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 27449244

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclobutyl)methyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[(1-hydroxycyclobutyl)methyl]-3,4,5-trimethoxybenzamide (CID 115643433) is N-[(1-hydroxycyclobutyl)methyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[(1-hydroxycyclobutyl)methyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[(1-hydroxycyclobutyl)methyl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)NCC2(O)CCC2)cc(OC)c1OC.
What is the InChIKey of N-[(1-hydroxycyclobutyl)methyl]-3,4,5-trimethoxybenzamide?
The InChIKey is BXSLCMMNZJKJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO5/c1-19-11-7-10(8-12(20-2)13(11)21-3)14(17)16-9-15(18)5-4-6-15/h7-8,18H,4-6,9H2,1-3H3,(H,16,17).
What are the key properties of N-[(1-hydroxycyclobutyl)methyl]-3,4,5-trimethoxybenzamide?
N-[(1-hydroxycyclobutyl)methyl]-3,4,5-trimethoxybenzamide has a molecular weight of 295.34 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclobutyl)methyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 115643433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).