N-cyclobutyl-N-(3-hydroxypropyl)-2,5-dimethoxybenzamide

C16H23NO4 — CID 102866390

IUPACN-cyclobutyl-N-(3-hydroxypropyl)-2,5-dimethoxybenzamide
SMILESCOc1ccc(OC)c(C(=O)N(CCCO)C2CCC2)c1
InChIInChI=1S/C16H23NO4/c1-20-13-7-8-15(21-2)14(11-13)16(19)17(9-4-10-18)12-5-3-6-12/h7-8,11-12,18H,3-6,9-10H2,1-2H3
InChIKeyRPRAJSZCNJWKLS-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.08
Rot. Bonds7

About N-cyclobutyl-N-(3-hydroxypropyl)-2,5-dimethoxybenzamide

N-cyclobutyl-N-(3-hydroxypropyl)-2,5-dimethoxybenzamide (PubChem CID 102866390) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is N-cyclobutyl-N-(3-hydroxypropyl)-2,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-cyclobutyl-N-(3-hydroxypropyl)-2,5-dimethoxybenzamide
PubChem CID102866390
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC NameN-cyclobutyl-N-(3-hydroxypropyl)-2,5-dimethoxybenzamide
SMILESCOc1ccc(OC)c(C(=O)N(CCCO)C2CCC2)c1
InChIInChI=1S/C16H23NO4/c1-20-13-7-8-15(21-2)14(11-13)16(19)17(9-4-10-18)12-5-3-6-12/h7-8,11-12,18H,3-6,9-10H2,1-2H3
InChIKeyRPRAJSZCNJWKLS-UHFFFAOYSA-N
XLogP2.08
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-cyclobutyl-N-(3-hydroxypropyl)-5-methoxybenzamide
CID 102858713
N-(2-bromoethyl)-N-cyclopropyl-2,5-dimethoxybenzamide
CID 80665946
N-cyclobutyl-N-(3-hydroxypropyl)-4-methoxybenzamide
CID 102866210
4-amino-N-cyclobutyl-N-(3-hydroxypropyl)-2-methoxybenzamide
CID 102858749
2-[cyclopropyl-(2,5-dimethoxybenzoyl)amino]acetic acid
CID 60826114
N-(3-bromopropyl)-N-cyclobutyl-2-hydroxy-5-methoxybenzamide
CID 102872287
N-(3-aminopropyl)-N-cyclopentyl-2-methoxy-5-methylbenzamide
CID 62504725
N-(2-bromoethyl)-N-cyclopentyl-2,4-dimethoxybenzamide
CID 80652711
2-amino-N-cyclohexyl-N-(2-hydroxyethyl)-4-methoxybenzamide
CID 115412770
2-bromo-N-(2-chloroethyl)-N-cyclopentyl-5-methoxybenzamide
CID 63391871
N-(2-chloroethyl)-N-cyclopropyl-2-hydroxy-5-methoxybenzamide
CID 63394206
4-chloro-N-cyclobutyl-N-(2-hydroxyethyl)-2-methoxybenzamide
CID 102867141

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-N-(3-hydroxypropyl)-2,5-dimethoxybenzamide?
The IUPAC name of N-cyclobutyl-N-(3-hydroxypropyl)-2,5-dimethoxybenzamide (CID 102866390) is N-cyclobutyl-N-(3-hydroxypropyl)-2,5-dimethoxybenzamide.
What is the SMILES notation for N-cyclobutyl-N-(3-hydroxypropyl)-2,5-dimethoxybenzamide?
The canonical SMILES for N-cyclobutyl-N-(3-hydroxypropyl)-2,5-dimethoxybenzamide is COc1ccc(OC)c(C(=O)N(CCCO)C2CCC2)c1.
What is the InChIKey of N-cyclobutyl-N-(3-hydroxypropyl)-2,5-dimethoxybenzamide?
The InChIKey is RPRAJSZCNJWKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-20-13-7-8-15(21-2)14(11-13)16(19)17(9-4-10-18)12-5-3-6-12/h7-8,11-12,18H,3-6,9-10H2,1-2H3.
What are the key properties of N-cyclobutyl-N-(3-hydroxypropyl)-2,5-dimethoxybenzamide?
N-cyclobutyl-N-(3-hydroxypropyl)-2,5-dimethoxybenzamide has a molecular weight of 293.36 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-N-(3-hydroxypropyl)-2,5-dimethoxybenzamide is sourced from PubChem (CID 102866390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).