4-amino-N-ethyl-3-[2-(hydroxymethyl)pyrrolidin-1-yl]benzamide

C14H21N3O2 — CID 63360665

IUPAC4-amino-N-ethyl-3-[2-(hydroxymethyl)pyrrolidin-1-yl]benzamide
SMILESCCNC(=O)c1ccc(N)c(N2CCCC2CO)c1
InChIInChI=1S/C14H21N3O2/c1-2-16-14(19)10-5-6-12(15)13(8-10)17-7-3-4-11(17)9-18/h5-6,8,11,18H,2-4,7,9,15H2,1H3,(H,16,19)
InChIKeyYDEZBIPYQLSNOM-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.98
Rot. Bonds4

About 4-amino-N-ethyl-3-[2-(hydroxymethyl)pyrrolidin-1-yl]benzamide

4-amino-N-ethyl-3-[2-(hydroxymethyl)pyrrolidin-1-yl]benzamide (PubChem CID 63360665) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-amino-N-ethyl-3-[2-(hydroxymethyl)pyrrolidin-1-yl]benzamide.

Molecular Properties

Compound Name4-amino-N-ethyl-3-[2-(hydroxymethyl)pyrrolidin-1-yl]benzamide
PubChem CID63360665
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name4-amino-N-ethyl-3-[2-(hydroxymethyl)pyrrolidin-1-yl]benzamide
SMILESCCNC(=O)c1ccc(N)c(N2CCCC2CO)c1
InChIInChI=1S/C14H21N3O2/c1-2-16-14(19)10-5-6-12(15)13(8-10)17-7-3-4-11(17)9-18/h5-6,8,11,18H,2-4,7,9,15H2,1H3,(H,16,19)
InChIKeyYDEZBIPYQLSNOM-UHFFFAOYSA-N
XLogP0.98
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-[2-(hydroxymethyl)piperidin-1-yl]-N-methylbenzamide
CID 63357388
3-amino-N-ethyl-4-(2-ethylpyrrolidin-1-yl)benzamide
CID 83000265
3-amino-4-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylbenzamide
CID 82988577
4-amino-N-ethyl-3-(3-hydroxypiperidin-1-yl)benzamide
CID 55189651
3-amino-4-[2-(hydroxymethyl)azepan-1-yl]-N-methylbenzamide
CID 116633969
4-amino-N-ethyl-3-[3-(methoxymethyl)piperidin-1-yl]benzamide
CID 106585831
4-amino-3-(2-ethylazepan-1-yl)benzoic acid
CID 113441876
4-amino-3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]benzoic acid
CID 82796247
4-amino-3-(2,2-dimethylpyrrolidin-1-yl)-N-ethylbenzamide
CID 55188948
1-[2-amino-4-(ethylcarbamoyl)phenyl]piperidine-2-carboxamide
CID 82989882
ethyl 4-amino-3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]benzoate
CID 82775130
4-amino-3-(2,3-dihydroindol-1-yl)-N-ethylbenzamide
CID 63360633

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-3-[2-(hydroxymethyl)pyrrolidin-1-yl]benzamide?
The IUPAC name of 4-amino-N-ethyl-3-[2-(hydroxymethyl)pyrrolidin-1-yl]benzamide (CID 63360665) is 4-amino-N-ethyl-3-[2-(hydroxymethyl)pyrrolidin-1-yl]benzamide.
What is the SMILES notation for 4-amino-N-ethyl-3-[2-(hydroxymethyl)pyrrolidin-1-yl]benzamide?
The canonical SMILES for 4-amino-N-ethyl-3-[2-(hydroxymethyl)pyrrolidin-1-yl]benzamide is CCNC(=O)c1ccc(N)c(N2CCCC2CO)c1.
What is the InChIKey of 4-amino-N-ethyl-3-[2-(hydroxymethyl)pyrrolidin-1-yl]benzamide?
The InChIKey is YDEZBIPYQLSNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-2-16-14(19)10-5-6-12(15)13(8-10)17-7-3-4-11(17)9-18/h5-6,8,11,18H,2-4,7,9,15H2,1H3,(H,16,19).
What are the key properties of 4-amino-N-ethyl-3-[2-(hydroxymethyl)pyrrolidin-1-yl]benzamide?
4-amino-N-ethyl-3-[2-(hydroxymethyl)pyrrolidin-1-yl]benzamide has a molecular weight of 263.34 g/mol, XLogP of 0.98, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-3-[2-(hydroxymethyl)pyrrolidin-1-yl]benzamide is sourced from PubChem (CID 63360665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).