2-[(4-aminophenyl)methyl-propylamino]-N-(2-methoxyethyl)acetamide

C15H25N3O2 — CID 61487336

IUPAC2-[(4-aminophenyl)methyl-propylamino]-N-(2-methoxyethyl)acetamide
SMILESCCCN(CC(=O)NCCOC)Cc1ccc(N)cc1
InChIInChI=1S/C15H25N3O2/c1-3-9-18(12-15(19)17-8-10-20-2)11-13-4-6-14(16)7-5-13/h4-7H,3,8-12,16H2,1-2H3,(H,17,19)
InChIKeyVAWRCALOBUNLRY-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.24
Rot. Bonds9

About 2-[(4-aminophenyl)methyl-propylamino]-N-(2-methoxyethyl)acetamide

2-[(4-aminophenyl)methyl-propylamino]-N-(2-methoxyethyl)acetamide (PubChem CID 61487336) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-[(4-aminophenyl)methyl-propylamino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[(4-aminophenyl)methyl-propylamino]-N-(2-methoxyethyl)acetamide
PubChem CID61487336
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name2-[(4-aminophenyl)methyl-propylamino]-N-(2-methoxyethyl)acetamide
SMILESCCCN(CC(=O)NCCOC)Cc1ccc(N)cc1
InChIInChI=1S/C15H25N3O2/c1-3-9-18(12-15(19)17-8-10-20-2)11-13-4-6-14(16)7-5-13/h4-7H,3,8-12,16H2,1-2H3,(H,17,19)
InChIKeyVAWRCALOBUNLRY-UHFFFAOYSA-N
XLogP1.24
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-aminophenyl)methyl-[2-(2-methoxyethylamino)-2-oxoethyl]amino]acetamide
CID 61487456
2-(4-amino-N-propylanilino)-N-(2-methoxyethyl)acetamide
CID 55173821
2-[(4-aminophenyl)methyl-[2-oxo-2-(propylamino)ethyl]amino]acetamide
CID 43461145
2-[(4-aminophenyl)methyl-propylamino]-N-carbamoylacetamide
CID 43459558
2-[(2-aminophenyl)methyl-propylamino]-N-(3-methoxypropyl)acetamide
CID 61486088
N-[(4-aminophenyl)methyl]-3-methoxy-N-propylpropanamide
CID 55091685
2-[benzyl(ethyl)amino]-N-(3-methoxypropyl)acetamide
CID 78787360
2-[(4-aminophenyl)methyl-ethylamino]-N-(2-methylpropyl)acetamide
CID 43458829
2-[(3-fluoro-4-methoxyphenyl)methyl-propylamino]-N-propylacetamide
CID 87015047
4-[[(4-methoxyphenyl)methyl-propylamino]methyl]aniline
CID 43459594
2-[4-[[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]methyl]phenyl]acetic acid
CID 105345852
2-(4-amino-N-propylanilino)-N-propylacetamide
CID 55174400

Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminophenyl)methyl-propylamino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[(4-aminophenyl)methyl-propylamino]-N-(2-methoxyethyl)acetamide (CID 61487336) is 2-[(4-aminophenyl)methyl-propylamino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[(4-aminophenyl)methyl-propylamino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[(4-aminophenyl)methyl-propylamino]-N-(2-methoxyethyl)acetamide is CCCN(CC(=O)NCCOC)Cc1ccc(N)cc1.
What is the InChIKey of 2-[(4-aminophenyl)methyl-propylamino]-N-(2-methoxyethyl)acetamide?
The InChIKey is VAWRCALOBUNLRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-3-9-18(12-15(19)17-8-10-20-2)11-13-4-6-14(16)7-5-13/h4-7H,3,8-12,16H2,1-2H3,(H,17,19).
What are the key properties of 2-[(4-aminophenyl)methyl-propylamino]-N-(2-methoxyethyl)acetamide?
2-[(4-aminophenyl)methyl-propylamino]-N-(2-methoxyethyl)acetamide has a molecular weight of 279.38 g/mol, XLogP of 1.24, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminophenyl)methyl-propylamino]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 61487336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).