2-[(2-amino-2-oxoethyl)-[(3-aminophenyl)methyl]amino]butanamide

C13H20N4O2 — CID 62899868

IUPAC2-[(2-amino-2-oxoethyl)-[(3-aminophenyl)methyl]amino]butanamide
SMILESCCC(C(N)=O)N(CC(N)=O)Cc1cccc(N)c1
InChIInChI=1S/C13H20N4O2/c1-2-11(13(16)19)17(8-12(15)18)7-9-4-3-5-10(14)6-9/h3-6,11H,2,7-8,14H2,1H3,(H2,15,18)(H2,16,19)
InChIKeyQSTCPBLRCQGFOI-UHFFFAOYSA-N
MW264.33 g/mol
LogP-0.18
Rot. Bonds7

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

2-[(2-amino-2-oxoethyl)-[(3-aminophenyl)methyl]amino]butanamide (PubChem CID 62899868) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-[(3-aminophenyl)methyl]amino]butanamide.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-[(3-aminophenyl)methyl]amino]butanamide
PubChem CID62899868
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name2-[(2-amino-2-oxoethyl)-[(3-aminophenyl)methyl]amino]butanamide
SMILESCCC(C(N)=O)N(CC(N)=O)Cc1cccc(N)c1
InChIInChI=1S/C13H20N4O2/c1-2-11(13(16)19)17(8-12(15)18)7-9-4-3-5-10(14)6-9/h3-6,11H,2,7-8,14H2,1H3,(H2,15,18)(H2,16,19)
InChIKeyQSTCPBLRCQGFOI-UHFFFAOYSA-N
XLogP-0.18
TPSA115.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
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-propylamino]butanoic acid
CID 64660954
2-[(3-aminophenyl)methyl-octylamino]acetamide
CID 43461268
3-[(2-amino-2-oxoethyl)-[(3-aminophenyl)methyl]amino]propanamide
CID 43384175
2-[(3-aminophenyl)methyl-[2-(diethylamino)-2-oxoethyl]amino]acetamide
CID 43461228
2-[(3-aminophenyl)methyl-(2-propoxyethyl)amino]acetamide
CID 106453572
2-[(3-aminophenyl)methyl-methylsulfonylamino]acetamide
CID 43461206
2-[(3-aminophenyl)methyl-(2-propoxyacetyl)amino]acetamide
CID 107937388
2-[(3-aminophenyl)methyl-propan-2-ylamino]-N-butan-2-ylacetamide
CID 43460260
2-[(3-aminophenyl)methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 43461235
2-[(3-aminophenyl)methyl-(propylsulfamoyl)amino]acetamide
CID 114804431
N-(2-amino-2-oxoethyl)-N-[(3-aminophenyl)methyl]-3-ethoxypropanamide
CID 62590077
2-[(3-bromophenyl)methyl-propan-2-ylamino]acetamide
CID 56810079

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-[(3-aminophenyl)methyl]amino]butanamide?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-[(3-aminophenyl)methyl]amino]butanamide (CID 62899868) is 2-[(2-amino-2-oxoethyl)-[(3-aminophenyl)methyl]amino]butanamide.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-[(3-aminophenyl)methyl]amino]butanamide?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-[(3-aminophenyl)methyl]amino]butanamide is CCC(C(N)=O)N(CC(N)=O)Cc1cccc(N)c1.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-[(3-aminophenyl)methyl]amino]butanamide?
The InChIKey is QSTCPBLRCQGFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-2-11(13(16)19)17(8-12(15)18)7-9-4-3-5-10(14)6-9/h3-6,11H,2,7-8,14H2,1H3,(H2,15,18)(H2,16,19).
What are the key properties of 2-[(2-amino-2-oxoethyl)-[(3-aminophenyl)methyl]amino]butanamide?
2-[(2-amino-2-oxoethyl)-[(3-aminophenyl)methyl]amino]butanamide has a molecular weight of 264.33 g/mol, XLogP of -0.18, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-[(3-aminophenyl)methyl]amino]butanamide is sourced from PubChem (CID 62899868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).