2-[(2-aminophenyl)methyl-propylamino]-N-(methylcarbamoyl)propanamide

C15H24N4O2 — CID 43459973

IUPAC2-[(2-aminophenyl)methyl-propylamino]-N-(methylcarbamoyl)propanamide
SMILESCCCN(Cc1ccccc1N)C(C)C(=O)NC(=O)NC
InChIInChI=1S/C15H24N4O2/c1-4-9-19(10-12-7-5-6-8-13(12)16)11(2)14(20)18-15(21)17-3/h5-8,11H,4,9-10,16H2,1-3H3,(H2,17,18,20,21)
InChIKeyUTXPCVUHAJDCBC-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.32
Rot. Bonds6

About 2-[(2-aminophenyl)methyl-propylamino]-N-(methylcarbamoyl)propanamide

2-[(2-aminophenyl)methyl-propylamino]-N-(methylcarbamoyl)propanamide (PubChem CID 43459973) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[(2-aminophenyl)methyl-propylamino]-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-[(2-aminophenyl)methyl-propylamino]-N-(methylcarbamoyl)propanamide
PubChem CID43459973
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name2-[(2-aminophenyl)methyl-propylamino]-N-(methylcarbamoyl)propanamide
SMILESCCCN(Cc1ccccc1N)C(C)C(=O)NC(=O)NC
InChIInChI=1S/C15H24N4O2/c1-4-9-19(10-12-7-5-6-8-13(12)16)11(2)14(20)18-15(21)17-3/h5-8,11H,4,9-10,16H2,1-3H3,(H2,17,18,20,21)
InChIKeyUTXPCVUHAJDCBC-UHFFFAOYSA-N
XLogP1.32
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.32
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-[(2-aminophenyl)methyl-propylamino]propanamide
CID 43459967
N-(2-aminophenyl)-2-(dipropylamino)propanamide
CID 16778886
2-[(2-aminophenyl)methyl-propan-2-ylamino]-N-methylacetamide
CID 43460418
2-[2-(2-aminophenyl)ethoxy]-N-(methylcarbamoyl)propanamide
CID 102902655
2-(4-amino-N-propylanilino)-N-(methylcarbamoyl)propanamide
CID 63233816
3-[(2-aminophenyl)methyl-propylamino]-N-methylpropanamide
CID 62324815
2-[(2-aminophenyl)methyl-ethylamino]-N,N-diethylpropanamide
CID 43459417
2-[ethyl(2-hydroxyethyl)amino]-N-(methylcarbamoyl)propanamide
CID 60685692
N-[(2-aminophenyl)methyl]-N-propan-2-ylpropanamide
CID 43460336
methyl 2-[(2-aminophenyl)methyl-propylsulfamoyl]propanoate
CID 61458329
2-[[ethyl(pentan-2-yl)amino]methyl]aniline
CID 107891825
2-[[propan-2-yl(propyl)amino]methyl]benzohydrazide
CID 55212652

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminophenyl)methyl-propylamino]-N-(methylcarbamoyl)propanamide?
The IUPAC name of 2-[(2-aminophenyl)methyl-propylamino]-N-(methylcarbamoyl)propanamide (CID 43459973) is 2-[(2-aminophenyl)methyl-propylamino]-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for 2-[(2-aminophenyl)methyl-propylamino]-N-(methylcarbamoyl)propanamide?
The canonical SMILES for 2-[(2-aminophenyl)methyl-propylamino]-N-(methylcarbamoyl)propanamide is CCCN(Cc1ccccc1N)C(C)C(=O)NC(=O)NC.
What is the InChIKey of 2-[(2-aminophenyl)methyl-propylamino]-N-(methylcarbamoyl)propanamide?
The InChIKey is UTXPCVUHAJDCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-4-9-19(10-12-7-5-6-8-13(12)16)11(2)14(20)18-15(21)17-3/h5-8,11H,4,9-10,16H2,1-3H3,(H2,17,18,20,21).
What are the key properties of 2-[(2-aminophenyl)methyl-propylamino]-N-(methylcarbamoyl)propanamide?
2-[(2-aminophenyl)methyl-propylamino]-N-(methylcarbamoyl)propanamide has a molecular weight of 292.38 g/mol, XLogP of 1.32, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminophenyl)methyl-propylamino]-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 43459973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).