2-[(3-aminophenyl)methyl-[2-(diethylamino)-2-oxoethyl]amino]acetamide

C15H24N4O2 — CID 43461228

IUPAC2-[(3-aminophenyl)methyl-[2-(diethylamino)-2-oxoethyl]amino]acetamide
SMILESCCN(CC)C(=O)CN(CC(N)=O)Cc1cccc(N)c1
InChIInChI=1S/C15H24N4O2/c1-3-19(4-2)15(21)11-18(10-14(17)20)9-12-6-5-7-13(16)8-12/h5-8H,3-4,9-11,16H2,1-2H3,(H2,17,20)
InChIKeyQKTBWJDQSLRCEL-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.42
Rot. Bonds8

About 2-[(3-aminophenyl)methyl-[2-(diethylamino)-2-oxoethyl]amino]acetamide

2-[(3-aminophenyl)methyl-[2-(diethylamino)-2-oxoethyl]amino]acetamide (PubChem CID 43461228) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[(3-aminophenyl)methyl-[2-(diethylamino)-2-oxoethyl]amino]acetamide.

Molecular Properties

Compound Name2-[(3-aminophenyl)methyl-[2-(diethylamino)-2-oxoethyl]amino]acetamide
PubChem CID43461228
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name2-[(3-aminophenyl)methyl-[2-(diethylamino)-2-oxoethyl]amino]acetamide
SMILESCCN(CC)C(=O)CN(CC(N)=O)Cc1cccc(N)c1
InChIInChI=1S/C15H24N4O2/c1-3-19(4-2)15(21)11-18(10-14(17)20)9-12-6-5-7-13(16)8-12/h5-8H,3-4,9-11,16H2,1-2H3,(H2,17,20)
InChIKeyQKTBWJDQSLRCEL-UHFFFAOYSA-N
XLogP0.42
TPSA92.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.42
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-[(2-amino-2-oxoethyl)-[(3-aminophenyl)methyl]amino]propanamide
CID 43384175
2-[(3-aminophenyl)methyl-octylamino]acetamide
CID 43461268
2-[(3-aminophenyl)methyl-(2-propoxyethyl)amino]acetamide
CID 106453572
2-[(3-aminophenyl)methyl-(2-propoxyacetyl)amino]acetamide
CID 107937388
2-[(3-aminophenyl)methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 43461235
N-[(3-aminophenyl)methyl]-N-ethylhexanamide
CID 43383879
2-[(3-aminophenyl)methyl-[2-(trifluoromethylsulfanyl)ethyl]amino]acetamide
CID 116616285
N-(2-amino-2-oxoethyl)-N-[(3-aminophenyl)methyl]-3-ethoxypropanamide
CID 62590077
2-[(3-aminophenyl)methyl-(carboxymethyl)amino]acetic acid
CID 21460485
N-[(3-aminophenyl)methyl]-N-ethyl-3-methylbutanamide
CID 43459012
2-[(3-aminophenyl)methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]acetamide
CID 43461225
N-[(3-aminophenyl)methyl]-N-ethyl-3-methoxypropanamide
CID 62588734

Frequently Asked Questions

What is the IUPAC name of 2-[(3-aminophenyl)methyl-[2-(diethylamino)-2-oxoethyl]amino]acetamide?
The IUPAC name of 2-[(3-aminophenyl)methyl-[2-(diethylamino)-2-oxoethyl]amino]acetamide (CID 43461228) is 2-[(3-aminophenyl)methyl-[2-(diethylamino)-2-oxoethyl]amino]acetamide.
What is the SMILES notation for 2-[(3-aminophenyl)methyl-[2-(diethylamino)-2-oxoethyl]amino]acetamide?
The canonical SMILES for 2-[(3-aminophenyl)methyl-[2-(diethylamino)-2-oxoethyl]amino]acetamide is CCN(CC)C(=O)CN(CC(N)=O)Cc1cccc(N)c1.
What is the InChIKey of 2-[(3-aminophenyl)methyl-[2-(diethylamino)-2-oxoethyl]amino]acetamide?
The InChIKey is QKTBWJDQSLRCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-3-19(4-2)15(21)11-18(10-14(17)20)9-12-6-5-7-13(16)8-12/h5-8H,3-4,9-11,16H2,1-2H3,(H2,17,20).
What are the key properties of 2-[(3-aminophenyl)methyl-[2-(diethylamino)-2-oxoethyl]amino]acetamide?
2-[(3-aminophenyl)methyl-[2-(diethylamino)-2-oxoethyl]amino]acetamide has a molecular weight of 292.38 g/mol, XLogP of 0.42, 8 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-(diethylamino)-2-oxoethyl]amino]acetamide is sourced from PubChem (CID 43461228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).