N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-ethoxybenzamide

C17H24N2O2 — CID 47031179

IUPACN-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NCC2CCN(C3CC3)C2)cc1
InChIInChI=1S/C17H24N2O2/c1-2-21-16-7-3-14(4-8-16)17(20)18-11-13-9-10-19(12-13)15-5-6-15/h3-4,7-8,13,15H,2,5-6,9-12H2,1H3,(H,18,20)
InChIKeyRJVQUUMXOXUAIX-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.30
Rot. Bonds6

About N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-ethoxybenzamide

N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-ethoxybenzamide (PubChem CID 47031179) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-ethoxybenzamide.

Molecular Properties

Compound NameN-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-ethoxybenzamide
PubChem CID47031179
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NCC2CCN(C3CC3)C2)cc1
InChIInChI=1S/C17H24N2O2/c1-2-21-16-7-3-14(4-8-16)17(20)18-11-13-9-10-19(12-13)15-5-6-15/h3-4,7-8,13,15H,2,5-6,9-12H2,1H3,(H,18,20)
InChIKeyRJVQUUMXOXUAIX-UHFFFAOYSA-N
XLogP2.30
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethoxy-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 16895373
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-methylsulfanylbenzamide
CID 78870756
N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-(4-ethoxyphenyl)acetamide
CID 16895629
6-chloro-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide
CID 61052814
4-ethoxy-N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16896156
3-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-methoxybenzamide
CID 81092770
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-(4-methoxyphenoxy)butanamide
CID 86984895
N-[(3-aminocyclohexyl)methyl]-4-ethoxybenzamide
CID 106123228
2-bromo-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide
CID 113255193
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998447
4-ethoxy-N-[[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide
CID 16918523
2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-methoxybenzamide
CID 61118366

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-ethoxybenzamide?
The IUPAC name of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-ethoxybenzamide (CID 47031179) is N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-ethoxybenzamide.
What is the SMILES notation for N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-ethoxybenzamide?
The canonical SMILES for N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-ethoxybenzamide is CCOc1ccc(C(=O)NCC2CCN(C3CC3)C2)cc1.
What is the InChIKey of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-ethoxybenzamide?
The InChIKey is RJVQUUMXOXUAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-2-21-16-7-3-14(4-8-16)17(20)18-11-13-9-10-19(12-13)15-5-6-15/h3-4,7-8,13,15H,2,5-6,9-12H2,1H3,(H,18,20).
What are the key properties of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-ethoxybenzamide?
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-ethoxybenzamide has a molecular weight of 288.39 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-ethoxybenzamide is sourced from PubChem (CID 47031179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).