2-[(2-aminophenyl)methyl-propan-2-ylamino]butanamide

C14H23N3O — CID 62899492

IUPAC2-[(2-aminophenyl)methyl-propan-2-ylamino]butanamide
SMILESCCC(C(N)=O)N(Cc1ccccc1N)C(C)C
InChIInChI=1S/C14H23N3O/c1-4-13(14(16)18)17(10(2)3)9-11-7-5-6-8-12(11)15/h5-8,10,13H,4,9,15H2,1-3H3,(H2,16,18)
InChIKeyRNUNITPNZPZTPY-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.74
Rot. Bonds6

About 2-[(2-aminophenyl)methyl-propan-2-ylamino]butanamide

2-[(2-aminophenyl)methyl-propan-2-ylamino]butanamide (PubChem CID 62899492) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-[(2-aminophenyl)methyl-propan-2-ylamino]butanamide.

Molecular Properties

Compound Name2-[(2-aminophenyl)methyl-propan-2-ylamino]butanamide
PubChem CID62899492
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-[(2-aminophenyl)methyl-propan-2-ylamino]butanamide
SMILESCCC(C(N)=O)N(Cc1ccccc1N)C(C)C
InChIInChI=1S/C14H23N3O/c1-4-13(14(16)18)17(10(2)3)9-11-7-5-6-8-12(11)15/h5-8,10,13H,4,9,15H2,1-3H3,(H2,16,18)
InChIKeyRNUNITPNZPZTPY-UHFFFAOYSA-N
XLogP1.74
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(2-aminophenyl)methyl-propan-2-ylamino]pentanoic acid
CID 83041260
N-[(2-aminophenyl)methyl]-N-propan-2-ylpropanamide
CID 43460336
2-[(2-aminophenyl)methyl-propylamino]propanamide
CID 43459967
2-[(2-aminophenyl)methyl-propanoylamino]butanoic acid
CID 175596185
N-[(2-aminophenyl)methyl]-N-ethyl-2-methylbutanamide
CID 43459253
N-[(2-aminophenyl)methyl]-N-propan-2-ylethanesulfonamide
CID 43460402
2-[methyl-[(2-methylphenyl)methyl]amino]butanamide
CID 55211748
N-[(2-aminophenyl)methyl]-3-methyl-N-propan-2-ylbutanamide
CID 43384061
2-[[2-(2-aminophenyl)acetyl]amino]-3-methylbutanamide
CID 113315006
2-[(2-aminophenyl)methylsulfonylamino]-3-methylbutanamide
CID 106343817
N-[(2-aminophenyl)methyl]-3,4,4-trimethyl-N-propan-2-ylpentanamide
CID 63833559
methyl 2-[(2-aminophenyl)methyl-propylsulfamoyl]propanoate
CID 61458329

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminophenyl)methyl-propan-2-ylamino]butanamide?
The IUPAC name of 2-[(2-aminophenyl)methyl-propan-2-ylamino]butanamide (CID 62899492) is 2-[(2-aminophenyl)methyl-propan-2-ylamino]butanamide.
What is the SMILES notation for 2-[(2-aminophenyl)methyl-propan-2-ylamino]butanamide?
The canonical SMILES for 2-[(2-aminophenyl)methyl-propan-2-ylamino]butanamide is CCC(C(N)=O)N(Cc1ccccc1N)C(C)C.
What is the InChIKey of 2-[(2-aminophenyl)methyl-propan-2-ylamino]butanamide?
The InChIKey is RNUNITPNZPZTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-4-13(14(16)18)17(10(2)3)9-11-7-5-6-8-12(11)15/h5-8,10,13H,4,9,15H2,1-3H3,(H2,16,18).
What are the key properties of 2-[(2-aminophenyl)methyl-propan-2-ylamino]butanamide?
2-[(2-aminophenyl)methyl-propan-2-ylamino]butanamide has a molecular weight of 249.36 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminophenyl)methyl-propan-2-ylamino]butanamide is sourced from PubChem (CID 62899492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).