3-amino-4-(dimethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide

C16H26N4O — CID 61089853

IUPAC3-amino-4-(dimethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide
SMILESCCN1CCCC1CNC(=O)c1ccc(N(C)C)c(N)c1
InChIInChI=1S/C16H26N4O/c1-4-20-9-5-6-13(20)11-18-16(21)12-7-8-15(19(2)3)14(17)10-12/h7-8,10,13H,4-6,9,11,17H2,1-3H3,(H,18,21)
InChIKeyWEYJZPBVNQJJPI-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.55
Rot. Bonds5

About 3-amino-4-(dimethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide

3-amino-4-(dimethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide (PubChem CID 61089853) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-amino-4-(dimethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3-amino-4-(dimethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide
PubChem CID61089853
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name3-amino-4-(dimethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide
SMILESCCN1CCCC1CNC(=O)c1ccc(N(C)C)c(N)c1
InChIInChI=1S/C16H26N4O/c1-4-20-9-5-6-13(20)11-18-16(21)12-7-8-15(19(2)3)14(17)10-12/h7-8,10,13H,4-6,9,11,17H2,1-3H3,(H,18,21)
InChIKeyWEYJZPBVNQJJPI-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-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxybenzamide
CID 16781423
3-amino-4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-N-methylbenzamide
CID 82992382
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-hydrazinylbenzamide
CID 62248150
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-fluorobenzamide
CID 778881
3-amino-N-(cyclohexylmethyl)-4-(dimethylamino)benzamide
CID 61094001
4-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide
CID 3919173
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-fluoro-3-sulfanylbenzamide
CID 107021319
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-iodobenzamide
CID 8839724
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 94480381
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 53362046
3-amino-4-(dimethylamino)-N-[(3-methylcyclopentyl)methyl]benzamide
CID 107411021
N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 43325638

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(dimethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide?
The IUPAC name of 3-amino-4-(dimethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide (CID 61089853) is 3-amino-4-(dimethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide.
What is the SMILES notation for 3-amino-4-(dimethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide?
The canonical SMILES for 3-amino-4-(dimethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide is CCN1CCCC1CNC(=O)c1ccc(N(C)C)c(N)c1.
What is the InChIKey of 3-amino-4-(dimethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide?
The InChIKey is WEYJZPBVNQJJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-4-20-9-5-6-13(20)11-18-16(21)12-7-8-15(19(2)3)14(17)10-12/h7-8,10,13H,4-6,9,11,17H2,1-3H3,(H,18,21).
What are the key properties of 3-amino-4-(dimethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide?
3-amino-4-(dimethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide 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-(dimethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide is sourced from PubChem (CID 61089853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).