2-[(4-aminophenyl)methyl-[2-(methylamino)-2-oxoethyl]amino]acetamide

C12H18N4O2 — CID 43384149

IUPAC2-[(4-aminophenyl)methyl-[2-(methylamino)-2-oxoethyl]amino]acetamide
SMILESCNC(=O)CN(CC(N)=O)Cc1ccc(N)cc1
InChIInChI=1S/C12H18N4O2/c1-15-12(18)8-16(7-11(14)17)6-9-2-4-10(13)5-3-9/h2-5H,6-8,13H2,1H3,(H2,14,17)(H,15,18)
InChIKeyXAIVMPKGZGMTIE-UHFFFAOYSA-N
MW250.30 g/mol
LogP-0.70
Rot. Bonds6

About 2-[(4-aminophenyl)methyl-[2-(methylamino)-2-oxoethyl]amino]acetamide

2-[(4-aminophenyl)methyl-[2-(methylamino)-2-oxoethyl]amino]acetamide (PubChem CID 43384149) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-[(4-aminophenyl)methyl-[2-(methylamino)-2-oxoethyl]amino]acetamide.

Molecular Properties

Compound Name2-[(4-aminophenyl)methyl-[2-(methylamino)-2-oxoethyl]amino]acetamide
PubChem CID43384149
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name2-[(4-aminophenyl)methyl-[2-(methylamino)-2-oxoethyl]amino]acetamide
SMILESCNC(=O)CN(CC(N)=O)Cc1ccc(N)cc1
InChIInChI=1S/C12H18N4O2/c1-15-12(18)8-16(7-11(14)17)6-9-2-4-10(13)5-3-9/h2-5H,6-8,13H2,1H3,(H2,14,17)(H,15,18)
InChIKeyXAIVMPKGZGMTIE-UHFFFAOYSA-N
XLogP-0.70
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[(2-amino-2-oxoethyl)-[(4-aminophenyl)methyl]amino]-N-methylbutanamide
CID 63890364
2-[(4-aminophenyl)methyl-[2-oxo-2-(propylamino)ethyl]amino]acetamide
CID 43461145
2-[(4-aminophenyl)methyl-[2-(2-methoxyethylamino)-2-oxoethyl]amino]acetamide
CID 61487456
3-[(2-amino-2-oxoethyl)-[(4-aminophenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 62628056
2-[2-(4-aminophenyl)ethyl-ethylamino]-N-methylacetamide
CID 43574920
2-[(4-aminophenyl)methyl-ethylamino]-N-carbamoylacetamide
CID 43383866
2-[(4-aminophenyl)methyl-(2,2-difluoroethyl)amino]acetamide
CID 54939182
2-[(4-aminophenyl)methyl-(2-ethylsulfanylethyl)amino]acetamide
CID 113473702
2-[(4-aminophenyl)methyl-propylamino]-N-carbamoylacetamide
CID 43459558
2-[(4-aminophenyl)methyl-(thiophen-3-ylmethyl)amino]acetamide
CID 43646268
2-[(4-aminophenyl)methyl-(2-propan-2-yloxyethyl)amino]acetamide
CID 61485337
2-[[2-(4-aminoanilino)-2-oxoethyl]-(2-amino-2-oxoethyl)amino]acetamide
CID 62924176

Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminophenyl)methyl-[2-(methylamino)-2-oxoethyl]amino]acetamide?
The IUPAC name of 2-[(4-aminophenyl)methyl-[2-(methylamino)-2-oxoethyl]amino]acetamide (CID 43384149) is 2-[(4-aminophenyl)methyl-[2-(methylamino)-2-oxoethyl]amino]acetamide.
What is the SMILES notation for 2-[(4-aminophenyl)methyl-[2-(methylamino)-2-oxoethyl]amino]acetamide?
The canonical SMILES for 2-[(4-aminophenyl)methyl-[2-(methylamino)-2-oxoethyl]amino]acetamide is CNC(=O)CN(CC(N)=O)Cc1ccc(N)cc1.
What is the InChIKey of 2-[(4-aminophenyl)methyl-[2-(methylamino)-2-oxoethyl]amino]acetamide?
The InChIKey is XAIVMPKGZGMTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-15-12(18)8-16(7-11(14)17)6-9-2-4-10(13)5-3-9/h2-5H,6-8,13H2,1H3,(H2,14,17)(H,15,18).
What are the key properties of 2-[(4-aminophenyl)methyl-[2-(methylamino)-2-oxoethyl]amino]acetamide?
2-[(4-aminophenyl)methyl-[2-(methylamino)-2-oxoethyl]amino]acetamide has a molecular weight of 250.30 g/mol, XLogP of -0.70, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminophenyl)methyl-[2-(methylamino)-2-oxoethyl]amino]acetamide is sourced from PubChem (CID 43384149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).