3-amino-4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N,N-dimethylbenzamide

C16H25N3O2 — CID 82991531

IUPAC3-amino-4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(N2CCCC2CCCO)c(N)c1
InChIInChI=1S/C16H25N3O2/c1-18(2)16(21)12-7-8-15(14(17)11-12)19-9-3-5-13(19)6-4-10-20/h7-8,11,13,20H,3-6,9-10,17H2,1-2H3
InChIKeyIERYUSHKVVHSLK-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.71
Rot. Bonds5

About 3-amino-4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N,N-dimethylbenzamide

3-amino-4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N,N-dimethylbenzamide (PubChem CID 82991531) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 3-amino-4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-amino-4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N,N-dimethylbenzamide
PubChem CID82991531
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name3-amino-4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(N2CCCC2CCCO)c(N)c1
InChIInChI=1S/C16H25N3O2/c1-18(2)16(21)12-7-8-15(14(17)11-12)19-9-3-5-13(19)6-4-10-20/h7-8,11,13,20H,3-6,9-10,17H2,1-2H3
InChIKeyIERYUSHKVVHSLK-UHFFFAOYSA-N
XLogP1.71
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.71
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

ethyl 4-amino-3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]benzoate
CID 82775130
3-amino-4-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylbenzamide
CID 82988577
4-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]-N,N-dimethylbenzamide
CID 111434906
methyl 3-amino-4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]benzoate
CID 62889597
3-amino-4-[4-(hydroxymethyl)piperidin-1-yl]-N,N-dimethylbenzamide
CID 82990194
3-amino-N-ethyl-4-(2-ethylpyrrolidin-1-yl)benzamide
CID 83000265
methyl 5-amino-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]benzoate
CID 62479452
2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-5-methylbenzoic acid
CID 55082983
1-[4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]phenyl]ethanone
CID 62469358
3-fluoro-4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]benzenecarbothioamide
CID 55076130
2-amino-3-fluoro-6-[2-(3-hydroxypropyl)pyrrolidin-1-yl]benzoic acid
CID 83205935
3-amino-4-[2-(hydroxymethyl)azepan-1-yl]-N-methylbenzamide
CID 116633969

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N,N-dimethylbenzamide?
The IUPAC name of 3-amino-4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N,N-dimethylbenzamide (CID 82991531) is 3-amino-4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-amino-4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N,N-dimethylbenzamide?
The canonical SMILES for 3-amino-4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(N2CCCC2CCCO)c(N)c1.
What is the InChIKey of 3-amino-4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N,N-dimethylbenzamide?
The InChIKey is IERYUSHKVVHSLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-18(2)16(21)12-7-8-15(14(17)11-12)19-9-3-5-13(19)6-4-10-20/h7-8,11,13,20H,3-6,9-10,17H2,1-2H3.
What are the key properties of 3-amino-4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N,N-dimethylbenzamide?
3-amino-4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N,N-dimethylbenzamide has a molecular weight of 291.39 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N,N-dimethylbenzamide is sourced from PubChem (CID 82991531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).