N-[(3-aminophenyl)methyl]-2-methoxy-2-methyl-N-propylpropanamide

C15H24N2O2 — CID 103017662

IUPACN-[(3-aminophenyl)methyl]-2-methoxy-2-methyl-N-propylpropanamide
SMILESCCCN(Cc1cccc(N)c1)C(=O)C(C)(C)OC
InChIInChI=1S/C15H24N2O2/c1-5-9-17(14(18)15(2,3)19-4)11-12-7-6-8-13(16)10-12/h6-8,10H,5,9,11,16H2,1-4H3
InChIKeyBPNOTAWALUDPLY-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.43
Rot. Bonds6

About N-[(3-aminophenyl)methyl]-2-methoxy-2-methyl-N-propylpropanamide

N-[(3-aminophenyl)methyl]-2-methoxy-2-methyl-N-propylpropanamide (PubChem CID 103017662) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-[(3-aminophenyl)methyl]-2-methoxy-2-methyl-N-propylpropanamide.

Molecular Properties

Compound NameN-[(3-aminophenyl)methyl]-2-methoxy-2-methyl-N-propylpropanamide
PubChem CID103017662
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN-[(3-aminophenyl)methyl]-2-methoxy-2-methyl-N-propylpropanamide
SMILESCCCN(Cc1cccc(N)c1)C(=O)C(C)(C)OC
InChIInChI=1S/C15H24N2O2/c1-5-9-17(14(18)15(2,3)19-4)11-12-7-6-8-13(16)10-12/h6-8,10H,5,9,11,16H2,1-4H3
InChIKeyBPNOTAWALUDPLY-UHFFFAOYSA-N
XLogP2.43
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-[(3-aminophenyl)methyl]-N-propylcarbamate
CID 43459708
N-[(3-aminophenyl)methyl]-2-phenyl-N-propylacetamide
CID 43459651
N-[(3-aminophenyl)methyl]-N-propylpentanamide
CID 43383967
N-[(4-cyanophenyl)methyl]-2-methoxy-2-methyl-N-propylpropanamide
CID 103028790
N-[(3-aminophenyl)methyl]-2-hydroxy-N-propylbenzamide
CID 43459683
N-[(3-aminophenyl)methyl]-4-chloro-N-propylbenzamide
CID 43459684
N-[(3-aminophenyl)methyl]-N-propylpyrrolidine-1-carboxamide
CID 79160910
N-[(3-aminophenyl)methyl]-N-propylcyclohexanecarboxamide
CID 43459677
N-[(3-aminophenyl)methyl]-N-propylfuran-3-carboxamide
CID 43459665
N-[(3-aminophenyl)methyl]-N-ethyl-3-methoxypropanamide
CID 62588734
2-[(3-aminophenyl)methyl-propylamino]-N-tert-butylacetamide
CID 43459726
tert-butyl N-[(3-aminophenyl)methyl]-N-[3-(3-aminophenyl)propyl]carbamate
CID 129253519

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminophenyl)methyl]-2-methoxy-2-methyl-N-propylpropanamide?
The IUPAC name of N-[(3-aminophenyl)methyl]-2-methoxy-2-methyl-N-propylpropanamide (CID 103017662) is N-[(3-aminophenyl)methyl]-2-methoxy-2-methyl-N-propylpropanamide.
What is the SMILES notation for N-[(3-aminophenyl)methyl]-2-methoxy-2-methyl-N-propylpropanamide?
The canonical SMILES for N-[(3-aminophenyl)methyl]-2-methoxy-2-methyl-N-propylpropanamide is CCCN(Cc1cccc(N)c1)C(=O)C(C)(C)OC.
What is the InChIKey of N-[(3-aminophenyl)methyl]-2-methoxy-2-methyl-N-propylpropanamide?
The InChIKey is BPNOTAWALUDPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-5-9-17(14(18)15(2,3)19-4)11-12-7-6-8-13(16)10-12/h6-8,10H,5,9,11,16H2,1-4H3.
What are the key properties of N-[(3-aminophenyl)methyl]-2-methoxy-2-methyl-N-propylpropanamide?
N-[(3-aminophenyl)methyl]-2-methoxy-2-methyl-N-propylpropanamide has a molecular weight of 264.37 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminophenyl)methyl]-2-methoxy-2-methyl-N-propylpropanamide is sourced from PubChem (CID 103017662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).