2-[(3-aminophenyl)methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]acetamide

C15H22N4O2 — CID 43461225

IUPAC2-[(3-aminophenyl)methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]acetamide
SMILESNC(=O)CN(CC(=O)N1CCCC1)Cc1cccc(N)c1
InChIInChI=1S/C15H22N4O2/c16-13-5-3-4-12(8-13)9-18(10-14(17)20)11-15(21)19-6-1-2-7-19/h3-5,8H,1-2,6-7,9-11,16H2,(H2,17,20)
InChIKeyZBAVOHNWFOSCKK-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.18
Rot. Bonds6

About 2-[(3-aminophenyl)methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]acetamide

2-[(3-aminophenyl)methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]acetamide (PubChem CID 43461225) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-[(3-aminophenyl)methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]acetamide.

Molecular Properties

Compound Name2-[(3-aminophenyl)methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]acetamide
PubChem CID43461225
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name2-[(3-aminophenyl)methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]acetamide
SMILESNC(=O)CN(CC(=O)N1CCCC1)Cc1cccc(N)c1
InChIInChI=1S/C15H22N4O2/c16-13-5-3-4-12(8-13)9-18(10-14(17)20)11-15(21)19-6-1-2-7-19/h3-5,8H,1-2,6-7,9-11,16H2,(H2,17,20)
InChIKeyZBAVOHNWFOSCKK-UHFFFAOYSA-N
XLogP0.18
TPSA92.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.18
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

2-[(3-aminophenyl)methyl-methylamino]-1-pyrrolidin-1-ylethanone
CID 43383734
3-[(2-amino-2-oxoethyl)-[(3-aminophenyl)methyl]amino]propanamide
CID 43384175
2-[(3-aminophenyl)methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 43461235
2-[(3-aminophenyl)methyl-[2-(diethylamino)-2-oxoethyl]amino]acetamide
CID 43461228
2-[(3-aminophenyl)methyl-octylamino]acetamide
CID 43461268
2-[(3-aminophenyl)methyl-(carboxymethyl)amino]acetic acid
CID 21460485
2-[(3-aminophenyl)methyl-[2-(trifluoromethylsulfanyl)ethyl]amino]acetamide
CID 116616285
2-[(3-aminophenyl)methyl-(2-propoxyethyl)amino]acetamide
CID 106453572
N-[(3-aminophenyl)methyl]-N-propylpyrrolidine-1-carboxamide
CID 79160910
2-[(3-aminophenyl)methyl-(pyridin-2-ylmethyl)amino]acetamide
CID 43461218
2-[(3-aminophenyl)methyl-[2-(oxolan-2-yl)ethyl]amino]acetamide
CID 65163169
2-[(3-aminophenyl)methyl-cyclohexylamino]acetamide
CID 43461239

Frequently Asked Questions

What is the IUPAC name of 2-[(3-aminophenyl)methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]acetamide?
The IUPAC name of 2-[(3-aminophenyl)methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]acetamide (CID 43461225) is 2-[(3-aminophenyl)methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]acetamide.
What is the SMILES notation for 2-[(3-aminophenyl)methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]acetamide?
The canonical SMILES for 2-[(3-aminophenyl)methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]acetamide is NC(=O)CN(CC(=O)N1CCCC1)Cc1cccc(N)c1.
What is the InChIKey of 2-[(3-aminophenyl)methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]acetamide?
The InChIKey is ZBAVOHNWFOSCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c16-13-5-3-4-12(8-13)9-18(10-14(17)20)11-15(21)19-6-1-2-7-19/h3-5,8H,1-2,6-7,9-11,16H2,(H2,17,20).
What are the key properties of 2-[(3-aminophenyl)methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]acetamide?
2-[(3-aminophenyl)methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]acetamide has a molecular weight of 290.37 g/mol, XLogP of 0.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-aminophenyl)methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]acetamide is sourced from PubChem (CID 43461225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).