3-hydroxy-5-methoxy-N,N-dipropylbenzamide

C14H21NO3 — CID 101268290

IUPAC3-hydroxy-5-methoxy-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1cc(O)cc(OC)c1
InChIInChI=1S/C14H21NO3/c1-4-6-15(7-5-2)14(17)11-8-12(16)10-13(9-11)18-3/h8-10,16H,4-7H2,1-3H3
InChIKeyXNIPUKXIYCBUIL-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.66
Rot. Bonds6

About 3-hydroxy-5-methoxy-N,N-dipropylbenzamide

3-hydroxy-5-methoxy-N,N-dipropylbenzamide (PubChem CID 101268290) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-hydroxy-5-methoxy-N,N-dipropylbenzamide.

Molecular Properties

Compound Name3-hydroxy-5-methoxy-N,N-dipropylbenzamide
PubChem CID101268290
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name3-hydroxy-5-methoxy-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1cc(O)cc(OC)c1
InChIInChI=1S/C14H21NO3/c1-4-6-15(7-5-2)14(17)11-8-12(16)10-13(9-11)18-3/h8-10,16H,4-7H2,1-3H3
InChIKeyXNIPUKXIYCBUIL-UHFFFAOYSA-N
XLogP2.66
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;3-ethyl-5-methoxy-N,N-dipropylbenzamide
CID 142843916
N,N-dibutyl-3,5-dimethoxybenzamide
CID 4198508
3-methoxy-N,N-dipropylbenzamide
CID 669439
N-[2-(dimethylamino)ethyl]-3,5-dihydroxy-N-propylbenzamide
CID 104939182
3-amino-N-[2-(dimethylamino)ethyl]-5-methoxy-N-propylbenzamide
CID 81089994
N-(2-aminoethyl)-N-ethyl-3,5-dimethoxybenzamide
CID 28707665
N-ethyl-N-(2-hydroxy-2-methylpropyl)-3,5-dimethoxybenzamide
CID 79387015
ethane;1-(3-hydroxy-5-methoxyphenyl)ethanone
CID 145053959
N-[2-[acetyl(propyl)amino]ethyl]-3,5-dimethoxybenzamide
CID 113051850
methyl 3-[(3,5-dimethoxybenzoyl)-ethylamino]propanoate
CID 61007489
2-amino-3,5-dimethoxy-N,N-dipropylbenzamide
CID 115950412
N-(3-aminopropyl)-4-methoxy-N-propylbenzamide
CID 43136604

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-5-methoxy-N,N-dipropylbenzamide?
The IUPAC name of 3-hydroxy-5-methoxy-N,N-dipropylbenzamide (CID 101268290) is 3-hydroxy-5-methoxy-N,N-dipropylbenzamide.
What is the SMILES notation for 3-hydroxy-5-methoxy-N,N-dipropylbenzamide?
The canonical SMILES for 3-hydroxy-5-methoxy-N,N-dipropylbenzamide is CCCN(CCC)C(=O)c1cc(O)cc(OC)c1.
What is the InChIKey of 3-hydroxy-5-methoxy-N,N-dipropylbenzamide?
The InChIKey is XNIPUKXIYCBUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-4-6-15(7-5-2)14(17)11-8-12(16)10-13(9-11)18-3/h8-10,16H,4-7H2,1-3H3.
What are the key properties of 3-hydroxy-5-methoxy-N,N-dipropylbenzamide?
3-hydroxy-5-methoxy-N,N-dipropylbenzamide has a molecular weight of 251.33 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5-methoxy-N,N-dipropylbenzamide is sourced from PubChem (CID 101268290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).