N-(3-aminophenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]acetamide

C14H22N4O — CID 63165957

IUPACN-(3-aminophenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]acetamide
SMILESCN(C)C1CCN(CC(=O)Nc2cccc(N)c2)C1
InChIInChI=1S/C14H22N4O/c1-17(2)13-6-7-18(9-13)10-14(19)16-12-5-3-4-11(15)8-12/h3-5,8,13H,6-7,9-10,15H2,1-2H3,(H,16,19)
InChIKeyZQTNESGILKCWNS-UHFFFAOYSA-N
MW262.36 g/mol
LogP0.84
Rot. Bonds4

About N-(3-aminophenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]acetamide

N-(3-aminophenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]acetamide (PubChem CID 63165957) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is N-(3-aminophenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]acetamide
PubChem CID63165957
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC NameN-(3-aminophenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]acetamide
SMILESCN(C)C1CCN(CC(=O)Nc2cccc(N)c2)C1
InChIInChI=1S/C14H22N4O/c1-17(2)13-6-7-18(9-13)10-14(19)16-12-5-3-4-11(15)8-12/h3-5,8,13H,6-7,9-10,15H2,1-2H3,(H,16,19)
InChIKeyZQTNESGILKCWNS-UHFFFAOYSA-N
XLogP0.84
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.84
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

N-(3-cyanophenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]acetamide
CID 63164005
N-(4-amino-2-methoxyphenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]acetamide
CID 63166002
2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-[4-[[4-[[2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]acetyl]amino]phenyl]methyl]phenyl]acetamide
CID 53322175
N-(3-aminophenyl)-2-(3-ethylpiperidin-1-yl)acetamide
CID 43584123
N-(3-aminophenyl)-2-(4-propylpiperazin-1-yl)acetamide
CID 16781245
N-(3-aminophenyl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide
CID 62992900
N-(3-aminophenyl)-2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)acetamide
CID 79917172
N-[3-[4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]phenyl]phenyl]acetamide
CID 58590945
2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]acetamide
CID 131904290
2-(3-aminopyrrolidin-1-yl)-N-(3-ethylphenyl)acetamide
CID 62067698
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-(3-aminophenyl)acetamide
CID 82746898
N-(3-aminophenyl)-2-(2,3,5-trimethylpiperidin-1-yl)acetamide
CID 114592183

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(3-aminophenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]acetamide (CID 63165957) is N-(3-aminophenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(3-aminophenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(3-aminophenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]acetamide is CN(C)C1CCN(CC(=O)Nc2cccc(N)c2)C1.
What is the InChIKey of N-(3-aminophenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]acetamide?
The InChIKey is ZQTNESGILKCWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-17(2)13-6-7-18(9-13)10-14(19)16-12-5-3-4-11(15)8-12/h3-5,8,13H,6-7,9-10,15H2,1-2H3,(H,16,19).
What are the key properties of N-(3-aminophenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]acetamide?
N-(3-aminophenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]acetamide has a molecular weight of 262.36 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 63165957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).