2-[(3-aminophenyl)methyl-propylamino]-N-propan-2-ylpropanamide

C16H27N3O — CID 43459791

IUPAC2-[(3-aminophenyl)methyl-propylamino]-N-propan-2-ylpropanamide
SMILESCCCN(Cc1cccc(N)c1)C(C)C(=O)NC(C)C
InChIInChI=1S/C16H27N3O/c1-5-9-19(13(4)16(20)18-12(2)3)11-14-7-6-8-15(17)10-14/h6-8,10,12-13H,5,9,11,17H2,1-4H3,(H,18,20)
InChIKeyFBUKHAFCYRTTFF-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.39
Rot. Bonds7

About 2-[(3-aminophenyl)methyl-propylamino]-N-propan-2-ylpropanamide

2-[(3-aminophenyl)methyl-propylamino]-N-propan-2-ylpropanamide (PubChem CID 43459791) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-[(3-aminophenyl)methyl-propylamino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-[(3-aminophenyl)methyl-propylamino]-N-propan-2-ylpropanamide
PubChem CID43459791
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name2-[(3-aminophenyl)methyl-propylamino]-N-propan-2-ylpropanamide
SMILESCCCN(Cc1cccc(N)c1)C(C)C(=O)NC(C)C
InChIInChI=1S/C16H27N3O/c1-5-9-19(13(4)16(20)18-12(2)3)11-14-7-6-8-15(17)10-14/h6-8,10,12-13H,5,9,11,17H2,1-4H3,(H,18,20)
InChIKeyFBUKHAFCYRTTFF-UHFFFAOYSA-N
XLogP2.39
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.39
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-[(3-aminophenyl)methyl-propylamino]butanoic acid
CID 64660954
N-(3-aminophenyl)-2-(dipropylamino)propanamide
CID 16778715
2-[(3-aminophenyl)methyl-methylamino]-N-pentan-3-ylpropanamide
CID 43458006
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-propylamino]-N-methylacetamide
CID 43459714
2-[(3-aminophenyl)methyl-methylamino]-N-(methylcarbamoyl)propanamide
CID 43458016
N-[(3-aminophenyl)methyl]-N-propylpyrrolidine-1-carboxamide
CID 79160910
2-[(3-aminophenyl)methyl-cyclopropylamino]-N-propylpropanamide
CID 43460855
N-(3-aminophenyl)-2-[cyclopropylmethyl(propyl)amino]propanamide
CID 43588029
2-[(2-amino-2-oxoethyl)-[(3-aminophenyl)methyl]amino]butanamide
CID 62899868
2-[(4-aminophenyl)methyl-propylamino]propanamide
CID 43459613

Frequently Asked Questions

What is the IUPAC name of 2-[(3-aminophenyl)methyl-propylamino]-N-propan-2-ylpropanamide?
The IUPAC name of 2-[(3-aminophenyl)methyl-propylamino]-N-propan-2-ylpropanamide (CID 43459791) is 2-[(3-aminophenyl)methyl-propylamino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-[(3-aminophenyl)methyl-propylamino]-N-propan-2-ylpropanamide?
The canonical SMILES for 2-[(3-aminophenyl)methyl-propylamino]-N-propan-2-ylpropanamide is CCCN(Cc1cccc(N)c1)C(C)C(=O)NC(C)C.
What is the InChIKey of 2-[(3-aminophenyl)methyl-propylamino]-N-propan-2-ylpropanamide?
The InChIKey is FBUKHAFCYRTTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-5-9-19(13(4)16(20)18-12(2)3)11-14-7-6-8-15(17)10-14/h6-8,10,12-13H,5,9,11,17H2,1-4H3,(H,18,20).
What are the key properties of 2-[(3-aminophenyl)methyl-propylamino]-N-propan-2-ylpropanamide?
2-[(3-aminophenyl)methyl-propylamino]-N-propan-2-ylpropanamide has a molecular weight of 277.41 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-aminophenyl)methyl-propylamino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 43459791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).