4,5-dimethoxy-N-(3-methoxypropyl)-2-pyrrol-1-ylbenzamide

C17H22N2O4 — CID 39348034

IUPAC4,5-dimethoxy-N-(3-methoxypropyl)-2-pyrrol-1-ylbenzamide
SMILESCOCCCNC(=O)c1cc(OC)c(OC)cc1-n1cccc1
InChIInChI=1S/C17H22N2O4/c1-21-10-6-7-18-17(20)13-11-15(22-2)16(23-3)12-14(13)19-8-4-5-9-19/h4-5,8-9,11-12H,6-7,10H2,1-3H3,(H,18,20)
InChIKeyVLLREXNBCZGUAE-UHFFFAOYSA-N
MW318.37 g/mol
LogP2.26
Rot. Bonds8

About 4,5-dimethoxy-N-(3-methoxypropyl)-2-pyrrol-1-ylbenzamide

4,5-dimethoxy-N-(3-methoxypropyl)-2-pyrrol-1-ylbenzamide (PubChem CID 39348034) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is 4,5-dimethoxy-N-(3-methoxypropyl)-2-pyrrol-1-ylbenzamide.

Molecular Properties

Compound Name4,5-dimethoxy-N-(3-methoxypropyl)-2-pyrrol-1-ylbenzamide
PubChem CID39348034
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name4,5-dimethoxy-N-(3-methoxypropyl)-2-pyrrol-1-ylbenzamide
SMILESCOCCCNC(=O)c1cc(OC)c(OC)cc1-n1cccc1
InChIInChI=1S/C17H22N2O4/c1-21-10-6-7-18-17(20)13-11-15(22-2)16(23-3)12-14(13)19-8-4-5-9-19/h4-5,8-9,11-12H,6-7,10H2,1-3H3,(H,18,20)
InChIKeyVLLREXNBCZGUAE-UHFFFAOYSA-N
XLogP2.26
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
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

N-cyclopropyl-4,5-dimethoxy-2-pyrrol-1-ylbenzamide
CID 39311854
2,5-dimethoxy-N-(3-methoxypropyl)-4-methylbenzamide
CID 110763222
5-methoxy-4-(2-methoxyethoxy)-N-(3-methoxypropyl)-2-nitrobenzamide
CID 24563160
4-[(2,4,5-trimethoxybenzoyl)amino]butanoic acid
CID 28831828
N-butyl-4,5-dimethoxy-2-methylbenzamide
CID 110763563
N-hexyl-2,4,5-trimethoxybenzamide
CID 32646107
2-amino-5-methoxy-N-(3-methoxypropyl)benzamide
CID 54878569
N-(4-methoxybutyl)-3-pyrrol-1-ylbenzamide
CID 110617094
5-[(2-methoxybenzoyl)amino]-N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzamide
CID 4691580
2,3-difluoro-N-(3-methoxypropyl)benzamide
CID 62650844
N-(3-azidopropyl)-2,4,5-trimethoxybenzamide
CID 61344554
2-methoxy-N-[2-(3-methoxypropylamino)-2-oxoethyl]benzamide
CID 47101310

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-N-(3-methoxypropyl)-2-pyrrol-1-ylbenzamide?
The IUPAC name of 4,5-dimethoxy-N-(3-methoxypropyl)-2-pyrrol-1-ylbenzamide (CID 39348034) is 4,5-dimethoxy-N-(3-methoxypropyl)-2-pyrrol-1-ylbenzamide.
What is the SMILES notation for 4,5-dimethoxy-N-(3-methoxypropyl)-2-pyrrol-1-ylbenzamide?
The canonical SMILES for 4,5-dimethoxy-N-(3-methoxypropyl)-2-pyrrol-1-ylbenzamide is COCCCNC(=O)c1cc(OC)c(OC)cc1-n1cccc1.
What is the InChIKey of 4,5-dimethoxy-N-(3-methoxypropyl)-2-pyrrol-1-ylbenzamide?
The InChIKey is VLLREXNBCZGUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-21-10-6-7-18-17(20)13-11-15(22-2)16(23-3)12-14(13)19-8-4-5-9-19/h4-5,8-9,11-12H,6-7,10H2,1-3H3,(H,18,20).
What are the key properties of 4,5-dimethoxy-N-(3-methoxypropyl)-2-pyrrol-1-ylbenzamide?
4,5-dimethoxy-N-(3-methoxypropyl)-2-pyrrol-1-ylbenzamide has a molecular weight of 318.37 g/mol, XLogP of 2.26, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-N-(3-methoxypropyl)-2-pyrrol-1-ylbenzamide is sourced from PubChem (CID 39348034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).