N-[3-(cyclopropylmethoxy)propyl]-2,3,4-trimethoxybenzamide

C17H25NO5 — CID 46613320

IUPACN-[3-(cyclopropylmethoxy)propyl]-2,3,4-trimethoxybenzamide
SMILESCOc1ccc(C(=O)NCCCOCC2CC2)c(OC)c1OC
InChIInChI=1S/C17H25NO5/c1-20-14-8-7-13(15(21-2)16(14)22-3)17(19)18-9-4-10-23-11-12-5-6-12/h7-8,12H,4-6,9-11H2,1-3H3,(H,18,19)
InChIKeyGIZIQWZYRAPOOI-UHFFFAOYSA-N
MW323.39 g/mol
LogP2.26
Rot. Bonds10

About N-[3-(cyclopropylmethoxy)propyl]-2,3,4-trimethoxybenzamide

N-[3-(cyclopropylmethoxy)propyl]-2,3,4-trimethoxybenzamide (PubChem CID 46613320) has the molecular formula C17H25NO5 and a molecular weight of 323.39 g/mol. Its IUPAC name is N-[3-(cyclopropylmethoxy)propyl]-2,3,4-trimethoxybenzamide.

Molecular Properties

Compound NameN-[3-(cyclopropylmethoxy)propyl]-2,3,4-trimethoxybenzamide
PubChem CID46613320
Molecular FormulaC17H25NO5
Molecular Weight323.39 g/mol
Exact Mass323.17
IUPAC NameN-[3-(cyclopropylmethoxy)propyl]-2,3,4-trimethoxybenzamide
SMILESCOc1ccc(C(=O)NCCCOCC2CC2)c(OC)c1OC
InChIInChI=1S/C17H25NO5/c1-20-14-8-7-13(15(21-2)16(14)22-3)17(19)18-9-4-10-23-11-12-5-6-12/h7-8,12H,4-6,9-11H2,1-3H3,(H,18,19)
InChIKeyGIZIQWZYRAPOOI-UHFFFAOYSA-N
XLogP2.26
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,3,4-trimethoxy-N-nonylbenzamide
CID 46549952
N-[3-(2-bromoethoxy)propyl]-2,3-dimethoxybenzamide
CID 106307155
N-(3-cyanopropyl)-2,3,4-trimethoxybenzamide
CID 62667011
2,3,4-trimethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119535878
2,3,4-trimethoxy-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
CID 9472517
4-chloro-N-[3-(cyclopropylmethoxy)propyl]-2-hydroxybenzamide
CID 103606116
N-[3-(cyclopropylmethoxy)propyl]-1H-indole-4-carboxamide
CID 43583021
N-(2-cyanoethyl)-2,3,4-trimethoxybenzamide
CID 55023434
2-anilino-N-[3-(cyclopropylmethoxy)propyl]benzamide
CID 25471927
N-[2-(cyclopropylmethoxy)ethyl]-2-hydroxy-4-methoxybenzamide
CID 56783961
4-bromo-N-[3-(cyclopropylmethoxy)propyl]-2-fluorobenzamide
CID 46419484
2,3,4-trimethoxy-N-(2-sulfamoylethyl)benzamide
CID 61068031

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylmethoxy)propyl]-2,3,4-trimethoxybenzamide?
The IUPAC name of N-[3-(cyclopropylmethoxy)propyl]-2,3,4-trimethoxybenzamide (CID 46613320) is N-[3-(cyclopropylmethoxy)propyl]-2,3,4-trimethoxybenzamide.
What is the SMILES notation for N-[3-(cyclopropylmethoxy)propyl]-2,3,4-trimethoxybenzamide?
The canonical SMILES for N-[3-(cyclopropylmethoxy)propyl]-2,3,4-trimethoxybenzamide is COc1ccc(C(=O)NCCCOCC2CC2)c(OC)c1OC.
What is the InChIKey of N-[3-(cyclopropylmethoxy)propyl]-2,3,4-trimethoxybenzamide?
The InChIKey is GIZIQWZYRAPOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO5/c1-20-14-8-7-13(15(21-2)16(14)22-3)17(19)18-9-4-10-23-11-12-5-6-12/h7-8,12H,4-6,9-11H2,1-3H3,(H,18,19).
What are the key properties of N-[3-(cyclopropylmethoxy)propyl]-2,3,4-trimethoxybenzamide?
N-[3-(cyclopropylmethoxy)propyl]-2,3,4-trimethoxybenzamide has a molecular weight of 323.39 g/mol, XLogP of 2.26, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylmethoxy)propyl]-2,3,4-trimethoxybenzamide is sourced from PubChem (CID 46613320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).