3-amino-4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-N-methylbenzamide

C16H26N4O — CID 82992382

IUPAC3-amino-4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-N-methylbenzamide
SMILESCCN1CCCC1CN(C)c1ccc(C(=O)NC)cc1N
InChIInChI=1S/C16H26N4O/c1-4-20-9-5-6-13(20)11-19(3)15-8-7-12(10-14(15)17)16(21)18-2/h7-8,10,13H,4-6,9,11,17H2,1-3H3,(H,18,21)
InChIKeyVUNNJOQZHPINRF-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.55
Rot. Bonds5

About 3-amino-4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-N-methylbenzamide

3-amino-4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-N-methylbenzamide (PubChem CID 82992382) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-amino-4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-N-methylbenzamide.

Molecular Properties

Compound Name3-amino-4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-N-methylbenzamide
PubChem CID82992382
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name3-amino-4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-N-methylbenzamide
SMILESCCN1CCCC1CN(C)c1ccc(C(=O)NC)cc1N
InChIInChI=1S/C16H26N4O/c1-4-20-9-5-6-13(20)11-19(3)15-8-7-12(10-14(15)17)16(21)18-2/h7-8,10,13H,4-6,9,11,17H2,1-3H3,(H,18,21)
InChIKeyVUNNJOQZHPINRF-UHFFFAOYSA-N
XLogP1.55
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.55
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-(dimethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide
CID 61089853
3-amino-N-methyl-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzamide
CID 82991957
methyl 3-amino-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]benzoate
CID 79312975
3-amino-4-[(1-ethylpiperidin-4-yl)-methylamino]-N-methylbenzamide
CID 82991708
2-amino-5-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-4-fluorobenzamide
CID 79309783
3-amino-4-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylbenzamide
CID 82988577
2-amino-4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]benzoic acid
CID 104500754
1-[5-bromo-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]phenyl]ethanone
CID 82966904
3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxybenzamide
CID 16781423
3-amino-4-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-methylbenzamide
CID 82989263
3-amino-4-[butyl(methyl)amino]-N-methylbenzamide
CID 82989106
3-amino-4-[2-(cyclopropylmethoxy)ethyl-methylamino]-N-methylbenzamide
CID 82999655

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-N-methylbenzamide?
The IUPAC name of 3-amino-4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-N-methylbenzamide (CID 82992382) is 3-amino-4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-N-methylbenzamide.
What is the SMILES notation for 3-amino-4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-N-methylbenzamide?
The canonical SMILES for 3-amino-4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-N-methylbenzamide is CCN1CCCC1CN(C)c1ccc(C(=O)NC)cc1N.
What is the InChIKey of 3-amino-4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-N-methylbenzamide?
The InChIKey is VUNNJOQZHPINRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-4-20-9-5-6-13(20)11-19(3)15-8-7-12(10-14(15)17)16(21)18-2/h7-8,10,13H,4-6,9,11,17H2,1-3H3,(H,18,21).
What are the key properties of 3-amino-4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-N-methylbenzamide?
3-amino-4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-N-methylbenzamide has a molecular weight of 290.41 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-N-methylbenzamide is sourced from PubChem (CID 82992382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).