3-amino-4-[3-(methoxymethyl)pyrrolidin-1-yl]-N-methylbenzamide

C14H21N3O2 — CID 82999420

IUPAC3-amino-4-[3-(methoxymethyl)pyrrolidin-1-yl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(N2CCC(COC)C2)c(N)c1
InChIInChI=1S/C14H21N3O2/c1-16-14(18)11-3-4-13(12(15)7-11)17-6-5-10(8-17)9-19-2/h3-4,7,10H,5-6,8-9,15H2,1-2H3,(H,16,18)
InChIKeyYKXHCQAXABJWPL-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.10
Rot. Bonds4

About 3-amino-4-[3-(methoxymethyl)pyrrolidin-1-yl]-N-methylbenzamide

3-amino-4-[3-(methoxymethyl)pyrrolidin-1-yl]-N-methylbenzamide (PubChem CID 82999420) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-amino-4-[3-(methoxymethyl)pyrrolidin-1-yl]-N-methylbenzamide.

Molecular Properties

Compound Name3-amino-4-[3-(methoxymethyl)pyrrolidin-1-yl]-N-methylbenzamide
PubChem CID82999420
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name3-amino-4-[3-(methoxymethyl)pyrrolidin-1-yl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(N2CCC(COC)C2)c(N)c1
InChIInChI=1S/C14H21N3O2/c1-16-14(18)11-3-4-13(12(15)7-11)17-6-5-10(8-17)9-19-2/h3-4,7,10H,5-6,8-9,15H2,1-2H3,(H,16,18)
InChIKeyYKXHCQAXABJWPL-UHFFFAOYSA-N
XLogP1.10
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-[3-(methoxymethyl)pyrrolidin-1-yl]benzamide
CID 64571235
ethyl 3-amino-4-[3-(methoxymethyl)piperidin-1-yl]benzoate
CID 106588291
4-amino-N-ethyl-3-[3-(methoxymethyl)piperidin-1-yl]benzamide
CID 106585831
3-amino-N-methyl-4-(2-methylmorpholin-4-yl)benzamide
CID 82989034
1-[3-chloro-4-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]ethanone
CID 64599153
methyl 3-amino-4-[4-(hydroxymethyl)piperidin-1-yl]benzoate
CID 61311117
3-amino-N-methyl-4-(4-propan-2-ylazepan-1-yl)benzamide
CID 82992166
3-amino-N-methyl-4-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)benzamide
CID 82992411
methyl 2-amino-5-[3-(methoxymethyl)pyrrolidin-1-yl]benzoate
CID 64598858
ethyl 3-amino-4-[3-(2-hydroxyethyl)pyrrolidin-1-yl]benzoate
CID 114799438
4-amino-2-[3-(methoxymethyl)pyrrolidin-1-yl]benzoic acid
CID 64598678
4-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-methyl-3-nitrobenzamide
CID 78998954

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[3-(methoxymethyl)pyrrolidin-1-yl]-N-methylbenzamide?
The IUPAC name of 3-amino-4-[3-(methoxymethyl)pyrrolidin-1-yl]-N-methylbenzamide (CID 82999420) is 3-amino-4-[3-(methoxymethyl)pyrrolidin-1-yl]-N-methylbenzamide.
What is the SMILES notation for 3-amino-4-[3-(methoxymethyl)pyrrolidin-1-yl]-N-methylbenzamide?
The canonical SMILES for 3-amino-4-[3-(methoxymethyl)pyrrolidin-1-yl]-N-methylbenzamide is CNC(=O)c1ccc(N2CCC(COC)C2)c(N)c1.
What is the InChIKey of 3-amino-4-[3-(methoxymethyl)pyrrolidin-1-yl]-N-methylbenzamide?
The InChIKey is YKXHCQAXABJWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-16-14(18)11-3-4-13(12(15)7-11)17-6-5-10(8-17)9-19-2/h3-4,7,10H,5-6,8-9,15H2,1-2H3,(H,16,18).
What are the key properties of 3-amino-4-[3-(methoxymethyl)pyrrolidin-1-yl]-N-methylbenzamide?
3-amino-4-[3-(methoxymethyl)pyrrolidin-1-yl]-N-methylbenzamide has a molecular weight of 263.34 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[3-(methoxymethyl)pyrrolidin-1-yl]-N-methylbenzamide is sourced from PubChem (CID 82999420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).