2-[(2-aminophenyl)methyl-propylamino]-N-(3-methoxypropyl)acetamide

C16H27N3O2 — CID 61486088

IUPAC2-[(2-aminophenyl)methyl-propylamino]-N-(3-methoxypropyl)acetamide
SMILESCCCN(CC(=O)NCCCOC)Cc1ccccc1N
InChIInChI=1S/C16H27N3O2/c1-3-10-19(12-14-7-4-5-8-15(14)17)13-16(20)18-9-6-11-21-2/h4-5,7-8H,3,6,9-13,17H2,1-2H3,(H,18,20)
InChIKeyKEWMACQHJNNZPU-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.63
Rot. Bonds10

About 2-[(2-aminophenyl)methyl-propylamino]-N-(3-methoxypropyl)acetamide

2-[(2-aminophenyl)methyl-propylamino]-N-(3-methoxypropyl)acetamide (PubChem CID 61486088) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-[(2-aminophenyl)methyl-propylamino]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-[(2-aminophenyl)methyl-propylamino]-N-(3-methoxypropyl)acetamide
PubChem CID61486088
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name2-[(2-aminophenyl)methyl-propylamino]-N-(3-methoxypropyl)acetamide
SMILESCCCN(CC(=O)NCCCOC)Cc1ccccc1N
InChIInChI=1S/C16H27N3O2/c1-3-10-19(12-14-7-4-5-8-15(14)17)13-16(20)18-9-6-11-21-2/h4-5,7-8H,3,6,9-13,17H2,1-2H3,(H,18,20)
InChIKeyKEWMACQHJNNZPU-UHFFFAOYSA-N
XLogP1.63
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-methoxyethyl(propyl)amino]methyl]aniline
CID 43459932
2-[benzyl(ethyl)amino]-N-(3-methoxypropyl)acetamide
CID 78787360
methyl 3-[(2-aminophenyl)methyl-propylamino]propanoate
CID 63949117
2-[(4-aminophenyl)methyl-propylamino]-N-(2-methoxyethyl)acetamide
CID 61487336
2-[2-(2-aminophenyl)ethyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 62495396
2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]aniline
CID 54985082
3-[(2-aminophenyl)methyl-propylamino]-N-methylpropanamide
CID 62324815
N-(3-methoxypropyl)-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-propylamino]acetamide
CID 78787969
2-[(2-aminophenyl)methyl-ethylamino]-N-(2-methylpropyl)acetamide
CID 43459354
2-(2-amino-N-propylanilino)-N-butylacetamide
CID 63230533
2-[[ethyl-[2-(3-methoxypropoxy)ethyl]amino]methyl]aniline
CID 103180360
2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(3-methoxypropyl)acetamide
CID 113162526

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminophenyl)methyl-propylamino]-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-[(2-aminophenyl)methyl-propylamino]-N-(3-methoxypropyl)acetamide (CID 61486088) is 2-[(2-aminophenyl)methyl-propylamino]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-[(2-aminophenyl)methyl-propylamino]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-[(2-aminophenyl)methyl-propylamino]-N-(3-methoxypropyl)acetamide is CCCN(CC(=O)NCCCOC)Cc1ccccc1N.
What is the InChIKey of 2-[(2-aminophenyl)methyl-propylamino]-N-(3-methoxypropyl)acetamide?
The InChIKey is KEWMACQHJNNZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-3-10-19(12-14-7-4-5-8-15(14)17)13-16(20)18-9-6-11-21-2/h4-5,7-8H,3,6,9-13,17H2,1-2H3,(H,18,20).
What are the key properties of 2-[(2-aminophenyl)methyl-propylamino]-N-(3-methoxypropyl)acetamide?
2-[(2-aminophenyl)methyl-propylamino]-N-(3-methoxypropyl)acetamide has a molecular weight of 293.41 g/mol, XLogP of 1.63, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminophenyl)methyl-propylamino]-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 61486088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).