N-(3-hydroxypentyl)-3,4,5-trimethoxybenzamide

C15H23NO5 — CID 115703422

IUPACN-(3-hydroxypentyl)-3,4,5-trimethoxybenzamide
SMILESCCC(O)CCNC(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C15H23NO5/c1-5-11(17)6-7-16-15(18)10-8-12(19-2)14(21-4)13(9-10)20-3/h8-9,11,17H,5-7H2,1-4H3,(H,16,18)
InChIKeyCIQZQKMXJZOVBF-UHFFFAOYSA-N
MW297.35 g/mol
LogP1.60
Rot. Bonds8

About N-(3-hydroxypentyl)-3,4,5-trimethoxybenzamide

N-(3-hydroxypentyl)-3,4,5-trimethoxybenzamide (PubChem CID 115703422) has the molecular formula C15H23NO5 and a molecular weight of 297.35 g/mol. Its IUPAC name is N-(3-hydroxypentyl)-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-(3-hydroxypentyl)-3,4,5-trimethoxybenzamide
PubChem CID115703422
Molecular FormulaC15H23NO5
Molecular Weight297.35 g/mol
Exact Mass297.16
IUPAC NameN-(3-hydroxypentyl)-3,4,5-trimethoxybenzamide
SMILESCCC(O)CCNC(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C15H23NO5/c1-5-11(17)6-7-16-15(18)10-8-12(19-2)14(21-4)13(9-10)20-3/h8-9,11,17H,5-7H2,1-4H3,(H,16,18)
InChIKeyCIQZQKMXJZOVBF-UHFFFAOYSA-N
XLogP1.60
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-4-ethoxy-N-(3-hydroxypentyl)-5-methoxybenzamide
CID 71848078
N-[2-(2-ethylbutanoylamino)ethyl]-3,4,5-trimethoxybenzamide
CID 108538157
methyl N-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]carbamate
CID 108570777
N-decyl-3,4,5-trimethoxybenzamide
CID 5067444
N-(4-bromopentyl)-3,4,5-trimethoxybenzamide
CID 106131338
3,4,5-trimethoxy-N-(3-phenylbutyl)benzamide
CID 110357561
3-chloro-4,5-dimethoxy-N-(3-methylbutyl)benzamide
CID 26253252
N-[2-(diethylcarbamoylamino)ethyl]-3,4,5-trimethoxybenzamide
CID 108570778
N-[2-[(2,6-dimethoxybenzoyl)amino]ethyl]-3,4,5-trimethoxybenzamide
CID 108538120
N-[3-(dimethylamino)propyl]-3,4,5-trimethoxybenzamide
CID 2315964
N-(4-amino-4-oxobutyl)-3,4,5-trimethoxybenzamide
CID 5235271
3,4,5-trimethoxy-N-[2-[[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]ethyl]benzamide
CID 177491562

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypentyl)-3,4,5-trimethoxybenzamide?
The IUPAC name of N-(3-hydroxypentyl)-3,4,5-trimethoxybenzamide (CID 115703422) is N-(3-hydroxypentyl)-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-(3-hydroxypentyl)-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-(3-hydroxypentyl)-3,4,5-trimethoxybenzamide is CCC(O)CCNC(=O)c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of N-(3-hydroxypentyl)-3,4,5-trimethoxybenzamide?
The InChIKey is CIQZQKMXJZOVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO5/c1-5-11(17)6-7-16-15(18)10-8-12(19-2)14(21-4)13(9-10)20-3/h8-9,11,17H,5-7H2,1-4H3,(H,16,18).
What are the key properties of N-(3-hydroxypentyl)-3,4,5-trimethoxybenzamide?
N-(3-hydroxypentyl)-3,4,5-trimethoxybenzamide has a molecular weight of 297.35 g/mol, XLogP of 1.60, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypentyl)-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 115703422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).