2-(ethylamino)-N-[(1-ethylpyrrolidin-3-yl)methyl]benzamide

C16H25N3O — CID 62180742

IUPAC2-(ethylamino)-N-[(1-ethylpyrrolidin-3-yl)methyl]benzamide
SMILESCCNc1ccccc1C(=O)NCC1CCN(CC)C1
InChIInChI=1S/C16H25N3O/c1-3-17-15-8-6-5-7-14(15)16(20)18-11-13-9-10-19(4-2)12-13/h5-8,13,17H,3-4,9-12H2,1-2H3,(H,18,20)
InChIKeyUKROZYODHLKFQI-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.19
Rot. Bonds6

About 2-(ethylamino)-N-[(1-ethylpyrrolidin-3-yl)methyl]benzamide

2-(ethylamino)-N-[(1-ethylpyrrolidin-3-yl)methyl]benzamide (PubChem CID 62180742) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-(ethylamino)-N-[(1-ethylpyrrolidin-3-yl)methyl]benzamide.

Molecular Properties

Compound Name2-(ethylamino)-N-[(1-ethylpyrrolidin-3-yl)methyl]benzamide
PubChem CID62180742
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-(ethylamino)-N-[(1-ethylpyrrolidin-3-yl)methyl]benzamide
SMILESCCNc1ccccc1C(=O)NCC1CCN(CC)C1
InChIInChI=1S/C16H25N3O/c1-3-17-15-8-6-5-7-14(15)16(20)18-11-13-9-10-19(4-2)12-13/h5-8,13,17H,3-4,9-12H2,1-2H3,(H,18,20)
InChIKeyUKROZYODHLKFQI-UHFFFAOYSA-N
XLogP2.19
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethylamino)-N-[(4-methylcyclohexyl)methyl]benzamide
CID 63244405
2-(2-cyanophenoxy)-N-[(1-ethylpyrrolidin-3-yl)methyl]benzamide
CID 84597934
N-[(1-ethylpyrrolidin-3-yl)methyl]thiophene-2-carboxamide
CID 61242837
N-[(1-ethylpyrrolidin-3-yl)methyl]-2-methyl-5-sulfanylbenzamide
CID 107023461
N-[[(3R)-1-[(3-hydroxyphenyl)methyl]pyrrolidin-3-yl]methyl]-2-(methylamino)benzamide
CID 95193324
6-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 60855368
2-ethoxy-N-[(1-ethylpiperidin-3-yl)methyl]pyridine-3-carboxamide
CID 51099499
N-[(1-ethylpyrrolidin-3-yl)methyl]-2H-triazole-4-carboxamide
CID 78968368
5-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]thiophene-2-carboxamide
CID 61077226
N-[(4-methylcyclohexyl)methyl]-2-(propylamino)benzamide
CID 63501540
N-[(1-ethylpyrrolidin-3-yl)methyl]-2-methylsulfonylaniline
CID 60856551
N-[(1,1-dioxothiolan-2-yl)methyl]-2-(ethylamino)benzamide
CID 81039861

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-[(1-ethylpyrrolidin-3-yl)methyl]benzamide?
The IUPAC name of 2-(ethylamino)-N-[(1-ethylpyrrolidin-3-yl)methyl]benzamide (CID 62180742) is 2-(ethylamino)-N-[(1-ethylpyrrolidin-3-yl)methyl]benzamide.
What is the SMILES notation for 2-(ethylamino)-N-[(1-ethylpyrrolidin-3-yl)methyl]benzamide?
The canonical SMILES for 2-(ethylamino)-N-[(1-ethylpyrrolidin-3-yl)methyl]benzamide is CCNc1ccccc1C(=O)NCC1CCN(CC)C1.
What is the InChIKey of 2-(ethylamino)-N-[(1-ethylpyrrolidin-3-yl)methyl]benzamide?
The InChIKey is UKROZYODHLKFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-3-17-15-8-6-5-7-14(15)16(20)18-11-13-9-10-19(4-2)12-13/h5-8,13,17H,3-4,9-12H2,1-2H3,(H,18,20).
What are the key properties of 2-(ethylamino)-N-[(1-ethylpyrrolidin-3-yl)methyl]benzamide?
2-(ethylamino)-N-[(1-ethylpyrrolidin-3-yl)methyl]benzamide has a molecular weight of 275.40 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-[(1-ethylpyrrolidin-3-yl)methyl]benzamide is sourced from PubChem (CID 62180742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).