2-ethoxy-N-(7-pyrrolidin-1-ylheptyl)benzamide

C20H32N2O2 — CID 47074532

IUPAC2-ethoxy-N-(7-pyrrolidin-1-ylheptyl)benzamide
SMILESCCOc1ccccc1C(=O)NCCCCCCCN1CCCC1
InChIInChI=1S/C20H32N2O2/c1-2-24-19-13-7-6-12-18(19)20(23)21-14-8-4-3-5-9-15-22-16-10-11-17-22/h6-7,12-13H,2-5,8-11,14-17H2,1H3,(H,21,23)
InChIKeyBIMOOONQUALBFX-UHFFFAOYSA-N
MW332.49 g/mol
LogP3.86
Rot. Bonds11

About 2-ethoxy-N-(7-pyrrolidin-1-ylheptyl)benzamide

2-ethoxy-N-(7-pyrrolidin-1-ylheptyl)benzamide (PubChem CID 47074532) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 2-ethoxy-N-(7-pyrrolidin-1-ylheptyl)benzamide.

Molecular Properties

Compound Name2-ethoxy-N-(7-pyrrolidin-1-ylheptyl)benzamide
PubChem CID47074532
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC Name2-ethoxy-N-(7-pyrrolidin-1-ylheptyl)benzamide
SMILESCCOc1ccccc1C(=O)NCCCCCCCN1CCCC1
InChIInChI=1S/C20H32N2O2/c1-2-24-19-13-7-6-12-18(19)20(23)21-14-8-4-3-5-9-15-22-16-10-11-17-22/h6-7,12-13H,2-5,8-11,14-17H2,1H3,(H,21,23)
InChIKeyBIMOOONQUALBFX-UHFFFAOYSA-N
XLogP3.86
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-N-[3-[4-[3-[(2-ethoxybenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide
CID 2932757
2-ethoxy-N-(6-hydroxyhexyl)benzamide
CID 103919109
2-ethoxy-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]benzamide
CID 42224182
N-(4-chlorobutyl)-2-ethoxybenzamide
CID 106845375
2-methoxy-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide
CID 47029114
2-ethoxy-N-[4-oxo-4-(2-piperazin-1-ylethylamino)butyl]benzamide;hydrochloride
CID 119446636
2-amino-N-(5-piperidin-1-ylpentyl)benzamide
CID 119947207
2-ethoxy-N-pent-4-ynylbenzamide
CID 103709030
2-(cyclopropylmethoxy)-N-[3-(4-hydroxypiperidin-1-yl)propyl]benzamide
CID 111433871
2-butoxy-N-[8-[(2-butoxybenzoyl)amino]octyl]benzamide
CID 17233378
2-ethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
CID 13318490
2-ethoxy-N-(2-hydroxyethyl)benzamide
CID 4088522

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(7-pyrrolidin-1-ylheptyl)benzamide?
The IUPAC name of 2-ethoxy-N-(7-pyrrolidin-1-ylheptyl)benzamide (CID 47074532) is 2-ethoxy-N-(7-pyrrolidin-1-ylheptyl)benzamide.
What is the SMILES notation for 2-ethoxy-N-(7-pyrrolidin-1-ylheptyl)benzamide?
The canonical SMILES for 2-ethoxy-N-(7-pyrrolidin-1-ylheptyl)benzamide is CCOc1ccccc1C(=O)NCCCCCCCN1CCCC1.
What is the InChIKey of 2-ethoxy-N-(7-pyrrolidin-1-ylheptyl)benzamide?
The InChIKey is BIMOOONQUALBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2/c1-2-24-19-13-7-6-12-18(19)20(23)21-14-8-4-3-5-9-15-22-16-10-11-17-22/h6-7,12-13H,2-5,8-11,14-17H2,1H3,(H,21,23).
What are the key properties of 2-ethoxy-N-(7-pyrrolidin-1-ylheptyl)benzamide?
2-ethoxy-N-(7-pyrrolidin-1-ylheptyl)benzamide has a molecular weight of 332.49 g/mol, XLogP of 3.86, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(7-pyrrolidin-1-ylheptyl)benzamide is sourced from PubChem (CID 47074532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).