N-cyclobutyl-N-(2-hydroxyethyl)-3,5-dimethoxy-4-methylbenzamide

C16H23NO4 — CID 102684529

IUPACN-cyclobutyl-N-(2-hydroxyethyl)-3,5-dimethoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)N(CCO)C2CCC2)cc(OC)c1C
InChIInChI=1S/C16H23NO4/c1-11-14(20-2)9-12(10-15(11)21-3)16(19)17(7-8-18)13-5-4-6-13/h9-10,13,18H,4-8H2,1-3H3
InChIKeyPDCFHVKHFQZTEW-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.00
Rot. Bonds6

About N-cyclobutyl-N-(2-hydroxyethyl)-3,5-dimethoxy-4-methylbenzamide

N-cyclobutyl-N-(2-hydroxyethyl)-3,5-dimethoxy-4-methylbenzamide (PubChem CID 102684529) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is N-cyclobutyl-N-(2-hydroxyethyl)-3,5-dimethoxy-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclobutyl-N-(2-hydroxyethyl)-3,5-dimethoxy-4-methylbenzamide
PubChem CID102684529
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC NameN-cyclobutyl-N-(2-hydroxyethyl)-3,5-dimethoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)N(CCO)C2CCC2)cc(OC)c1C
InChIInChI=1S/C16H23NO4/c1-11-14(20-2)9-12(10-15(11)21-3)16(19)17(7-8-18)13-5-4-6-13/h9-10,13,18H,4-8H2,1-3H3
InChIKeyPDCFHVKHFQZTEW-UHFFFAOYSA-N
XLogP2.00
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-N-(2-hydroxyethyl)-3,4,5-trimethoxybenzamide
CID 43576979
N-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)-3-methoxybenzamide
CID 102684653
N-cyclopentyl-N-(2-hydroxyethyl)-3,5-dimethylbenzamide
CID 54993921
3-bromo-N-cyclopentyl-N-(2-hydroxyethyl)-5-methylbenzamide
CID 104852405
4-chloro-N-cyclobutyl-N-(2-hydroxyethyl)-2-methoxybenzamide
CID 102867141
N-cyclopropyl-N-(2-hydroxyethyl)-3,4-dimethylbenzamide
CID 43576906
1-N,4-N-dicyclohexyl-1-N,4-N-bis(2-hydroxyethyl)benzene-1,4-dicarboxamide
CID 3317185
N-cyclohexyl-N-(2-hydroxyethyl)-5-methylfuran-3-carboxamide
CID 114821743
N-cyclopentyl-N-ethyl-3-methoxy-4-methylbenzamide
CID 134060958
N-cyclopropyl-N-(2-hydroxyethyl)-6-methoxypyridine-3-carboxamide
CID 43577386
N-cyclobutyl-4-ethyl-N-(2-hydroxyethyl)benzamide
CID 102684931
N-cyclobutyl-N-(3-hydroxypropyl)-4-methoxybenzamide
CID 102866210

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-N-(2-hydroxyethyl)-3,5-dimethoxy-4-methylbenzamide?
The IUPAC name of N-cyclobutyl-N-(2-hydroxyethyl)-3,5-dimethoxy-4-methylbenzamide (CID 102684529) is N-cyclobutyl-N-(2-hydroxyethyl)-3,5-dimethoxy-4-methylbenzamide.
What is the SMILES notation for N-cyclobutyl-N-(2-hydroxyethyl)-3,5-dimethoxy-4-methylbenzamide?
The canonical SMILES for N-cyclobutyl-N-(2-hydroxyethyl)-3,5-dimethoxy-4-methylbenzamide is COc1cc(C(=O)N(CCO)C2CCC2)cc(OC)c1C.
What is the InChIKey of N-cyclobutyl-N-(2-hydroxyethyl)-3,5-dimethoxy-4-methylbenzamide?
The InChIKey is PDCFHVKHFQZTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-11-14(20-2)9-12(10-15(11)21-3)16(19)17(7-8-18)13-5-4-6-13/h9-10,13,18H,4-8H2,1-3H3.
What are the key properties of N-cyclobutyl-N-(2-hydroxyethyl)-3,5-dimethoxy-4-methylbenzamide?
N-cyclobutyl-N-(2-hydroxyethyl)-3,5-dimethoxy-4-methylbenzamide has a molecular weight of 293.36 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-N-(2-hydroxyethyl)-3,5-dimethoxy-4-methylbenzamide is sourced from PubChem (CID 102684529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).