2-[(2-aminophenyl)methyl-ethylamino]-N,N-diethylpropanamide

C16H27N3O — CID 43459417

IUPAC2-[(2-aminophenyl)methyl-ethylamino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)N(CC)Cc1ccccc1N
InChIInChI=1S/C16H27N3O/c1-5-18(6-2)16(20)13(4)19(7-3)12-14-10-8-9-11-15(14)17/h8-11,13H,5-7,12,17H2,1-4H3
InChIKeyGJRUVODOVZKYSK-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.35
Rot. Bonds7

About 2-[(2-aminophenyl)methyl-ethylamino]-N,N-diethylpropanamide

2-[(2-aminophenyl)methyl-ethylamino]-N,N-diethylpropanamide (PubChem CID 43459417) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-[(2-aminophenyl)methyl-ethylamino]-N,N-diethylpropanamide.

Molecular Properties

Compound Name2-[(2-aminophenyl)methyl-ethylamino]-N,N-diethylpropanamide
PubChem CID43459417
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name2-[(2-aminophenyl)methyl-ethylamino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)N(CC)Cc1ccccc1N
InChIInChI=1S/C16H27N3O/c1-5-18(6-2)16(20)13(4)19(7-3)12-14-10-8-9-11-15(14)17/h8-11,13H,5-7,12,17H2,1-4H3
InChIKeyGJRUVODOVZKYSK-UHFFFAOYSA-N
XLogP2.35
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.35
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

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CID 3676
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CID 24415
Tocainide
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Levobupivacaine
CID 92253
Ropivacaine
CID 175805
Prilocaine Hydrochloride
CID 92163
Lidocaine Hydrochloride
CID 6314
Etidocaine
CID 37497
Lidocaine hydrochloride monohydrate
CID 16219577
Bupivacaine (USAN:INN:BAN)
CID 2474
2-((2,6-Dimethylphenyl)amino)-N,N,N-triethyl-2-oxoethanaminium
CID 3925

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminophenyl)methyl-ethylamino]-N,N-diethylpropanamide?
The IUPAC name of 2-[(2-aminophenyl)methyl-ethylamino]-N,N-diethylpropanamide (CID 43459417) is 2-[(2-aminophenyl)methyl-ethylamino]-N,N-diethylpropanamide.
What is the SMILES notation for 2-[(2-aminophenyl)methyl-ethylamino]-N,N-diethylpropanamide?
The canonical SMILES for 2-[(2-aminophenyl)methyl-ethylamino]-N,N-diethylpropanamide is CCN(CC)C(=O)C(C)N(CC)Cc1ccccc1N.
What is the InChIKey of 2-[(2-aminophenyl)methyl-ethylamino]-N,N-diethylpropanamide?
The InChIKey is GJRUVODOVZKYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-5-18(6-2)16(20)13(4)19(7-3)12-14-10-8-9-11-15(14)17/h8-11,13H,5-7,12,17H2,1-4H3.
What are the key properties of 2-[(2-aminophenyl)methyl-ethylamino]-N,N-diethylpropanamide?
2-[(2-aminophenyl)methyl-ethylamino]-N,N-diethylpropanamide has a molecular weight of 277.41 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminophenyl)methyl-ethylamino]-N,N-diethylpropanamide is sourced from PubChem (CID 43459417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).