2-[(4-aminophenyl)methyl-ethylamino]-N-(2-methylpropyl)acetamide

C15H25N3O — CID 43458829

IUPAC2-[(4-aminophenyl)methyl-ethylamino]-N-(2-methylpropyl)acetamide
SMILESCCN(CC(=O)NCC(C)C)Cc1ccc(N)cc1
InChIInChI=1S/C15H25N3O/c1-4-18(11-15(19)17-9-12(2)3)10-13-5-7-14(16)8-6-13/h5-8,12H,4,9-11,16H2,1-3H3,(H,17,19)
InChIKeySVSYGJRKKCZGNT-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.86
Rot. Bonds7

About 2-[(4-aminophenyl)methyl-ethylamino]-N-(2-methylpropyl)acetamide

2-[(4-aminophenyl)methyl-ethylamino]-N-(2-methylpropyl)acetamide (PubChem CID 43458829) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[(4-aminophenyl)methyl-ethylamino]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[(4-aminophenyl)methyl-ethylamino]-N-(2-methylpropyl)acetamide
PubChem CID43458829
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-[(4-aminophenyl)methyl-ethylamino]-N-(2-methylpropyl)acetamide
SMILESCCN(CC(=O)NCC(C)C)Cc1ccc(N)cc1
InChIInChI=1S/C15H25N3O/c1-4-18(11-15(19)17-9-12(2)3)10-13-5-7-14(16)8-6-13/h5-8,12H,4,9-11,16H2,1-3H3,(H,17,19)
InChIKeySVSYGJRKKCZGNT-UHFFFAOYSA-N
XLogP1.86
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(3-aminophenyl)methyl-ethylamino]-N-(2-methylpropyl)acetamide
CID 43459091
2-[(4-aminophenyl)methyl-propan-2-ylamino]-N-(2-methylpropyl)acetamide
CID 43460081
2-[(4-aminophenyl)methyl-ethylamino]-N-pentan-2-ylacetamide
CID 61489645
2-[(2-aminophenyl)methyl-ethylamino]-N-(2-methylpropyl)acetamide
CID 43459354
2-[(4-aminophenyl)methyl-ethylamino]-N-carbamoylacetamide
CID 43383866
2-(4-aminophenyl)-N-(2-methylpropyl)acetamide
CID 16776382
2-[(4-aminophenyl)methyl-[2-oxo-2-(propylamino)ethyl]amino]acetamide
CID 43461145
2-[(4-aminophenyl)methyl-ethylamino]-N,N-dimethylacetamide
CID 43458823
2-[(4-aminophenyl)methyl-methylamino]-N-(2-methylpropyl)propanamide
CID 43458328
2-[(4-bromophenyl)methyl-ethylamino]-N-ethylacetamide
CID 54939808
2-[(4-aminophenyl)methyl-propylamino]-N-(2-methoxyethyl)acetamide
CID 61487336
2-[(4-aminophenyl)methyl-[2-(methylamino)-2-oxoethyl]amino]acetamide
CID 43384149

Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminophenyl)methyl-ethylamino]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[(4-aminophenyl)methyl-ethylamino]-N-(2-methylpropyl)acetamide (CID 43458829) is 2-[(4-aminophenyl)methyl-ethylamino]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[(4-aminophenyl)methyl-ethylamino]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[(4-aminophenyl)methyl-ethylamino]-N-(2-methylpropyl)acetamide is CCN(CC(=O)NCC(C)C)Cc1ccc(N)cc1.
What is the InChIKey of 2-[(4-aminophenyl)methyl-ethylamino]-N-(2-methylpropyl)acetamide?
The InChIKey is SVSYGJRKKCZGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-4-18(11-15(19)17-9-12(2)3)10-13-5-7-14(16)8-6-13/h5-8,12H,4,9-11,16H2,1-3H3,(H,17,19).
What are the key properties of 2-[(4-aminophenyl)methyl-ethylamino]-N-(2-methylpropyl)acetamide?
2-[(4-aminophenyl)methyl-ethylamino]-N-(2-methylpropyl)acetamide has a molecular weight of 263.38 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminophenyl)methyl-ethylamino]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 43458829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).