2-[(4-aminophenyl)methyl-(2-propan-2-yloxyethyl)amino]acetamide

C14H23N3O2 — CID 61485337

IUPAC2-[(4-aminophenyl)methyl-(2-propan-2-yloxyethyl)amino]acetamide
SMILESCC(C)OCCN(CC(N)=O)Cc1ccc(N)cc1
InChIInChI=1S/C14H23N3O2/c1-11(2)19-8-7-17(10-14(16)18)9-12-3-5-13(15)6-4-12/h3-6,11H,7-10,15H2,1-2H3,(H2,16,18)
InChIKeySIEIBGBXFREBAB-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.98
Rot. Bonds8

About 2-[(4-aminophenyl)methyl-(2-propan-2-yloxyethyl)amino]acetamide

2-[(4-aminophenyl)methyl-(2-propan-2-yloxyethyl)amino]acetamide (PubChem CID 61485337) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-[(4-aminophenyl)methyl-(2-propan-2-yloxyethyl)amino]acetamide.

Molecular Properties

Compound Name2-[(4-aminophenyl)methyl-(2-propan-2-yloxyethyl)amino]acetamide
PubChem CID61485337
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-[(4-aminophenyl)methyl-(2-propan-2-yloxyethyl)amino]acetamide
SMILESCC(C)OCCN(CC(N)=O)Cc1ccc(N)cc1
InChIInChI=1S/C14H23N3O2/c1-11(2)19-8-7-17(10-14(16)18)9-12-3-5-13(15)6-4-12/h3-6,11H,7-10,15H2,1-2H3,(H2,16,18)
InChIKeySIEIBGBXFREBAB-UHFFFAOYSA-N
XLogP0.98
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

3-[(2-amino-2-oxoethyl)-[(4-aminophenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 62628056
2-[(4-aminophenyl)methyl-(2-ethylsulfanylethyl)amino]acetamide
CID 113473702
2-[(4-aminophenyl)methyl-[2-(methylamino)-2-oxoethyl]amino]acetamide
CID 43384149
2-[(4-aminophenyl)methyl-(2,2-difluoroethyl)amino]acetamide
CID 54939182
4-[(2-amino-2-oxoethyl)-[(4-aminophenyl)methyl]amino]-N-methylbutanamide
CID 63890364
2-[(4-aminophenyl)methyl-[2-oxo-2-(propylamino)ethyl]amino]acetamide
CID 43461145
2-[(4-tert-butylphenyl)methyl-(2-methoxyethyl)amino]acetamide
CID 56815802
2-[(4-aminophenyl)methyl-(3-cyano-3-methylbutyl)amino]acetamide
CID 65253078
2-[(4-aminophenyl)methyl-[2-(2-methoxyethylamino)-2-oxoethyl]amino]acetamide
CID 61487456
2-[(4-aminophenyl)methyl-propylamino]-N-carbamoylacetamide
CID 43459558
N-[(4-aminophenyl)methyl]-2-propan-2-yloxy-N-propylethanesulfonamide
CID 79592394
2-[(4-aminophenyl)methyl-(thiophen-3-ylmethyl)amino]acetamide
CID 43646268

Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminophenyl)methyl-(2-propan-2-yloxyethyl)amino]acetamide?
The IUPAC name of 2-[(4-aminophenyl)methyl-(2-propan-2-yloxyethyl)amino]acetamide (CID 61485337) is 2-[(4-aminophenyl)methyl-(2-propan-2-yloxyethyl)amino]acetamide.
What is the SMILES notation for 2-[(4-aminophenyl)methyl-(2-propan-2-yloxyethyl)amino]acetamide?
The canonical SMILES for 2-[(4-aminophenyl)methyl-(2-propan-2-yloxyethyl)amino]acetamide is CC(C)OCCN(CC(N)=O)Cc1ccc(N)cc1.
What is the InChIKey of 2-[(4-aminophenyl)methyl-(2-propan-2-yloxyethyl)amino]acetamide?
The InChIKey is SIEIBGBXFREBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-11(2)19-8-7-17(10-14(16)18)9-12-3-5-13(15)6-4-12/h3-6,11H,7-10,15H2,1-2H3,(H2,16,18).
What are the key properties of 2-[(4-aminophenyl)methyl-(2-propan-2-yloxyethyl)amino]acetamide?
2-[(4-aminophenyl)methyl-(2-propan-2-yloxyethyl)amino]acetamide has a molecular weight of 265.36 g/mol, XLogP of 0.98, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminophenyl)methyl-(2-propan-2-yloxyethyl)amino]acetamide is sourced from PubChem (CID 61485337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).