N-(2-chlorophenyl)-2-[2-[ethyl(methyl)amino]ethylamino]acetamide

C13H20ClN3O — CID 62640663

IUPACN-(2-chlorophenyl)-2-[2-[ethyl(methyl)amino]ethylamino]acetamide
SMILESCCN(C)CCNCC(=O)Nc1ccccc1Cl
InChIInChI=1S/C13H20ClN3O/c1-3-17(2)9-8-15-10-13(18)16-12-7-5-4-6-11(12)14/h4-7,15H,3,8-10H2,1-2H3,(H,16,18)
InChIKeyYEHISZZQGZDODI-UHFFFAOYSA-N
MW269.78 g/mol
LogP1.82
Rot. Bonds7

About N-(2-chlorophenyl)-2-[2-[ethyl(methyl)amino]ethylamino]acetamide

N-(2-chlorophenyl)-2-[2-[ethyl(methyl)amino]ethylamino]acetamide (PubChem CID 62640663) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[2-[ethyl(methyl)amino]ethylamino]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[2-[ethyl(methyl)amino]ethylamino]acetamide
PubChem CID62640663
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC NameN-(2-chlorophenyl)-2-[2-[ethyl(methyl)amino]ethylamino]acetamide
SMILESCCN(C)CCNCC(=O)Nc1ccccc1Cl
InChIInChI=1S/C13H20ClN3O/c1-3-17(2)9-8-15-10-13(18)16-12-7-5-4-6-11(12)14/h4-7,15H,3,8-10H2,1-2H3,(H,16,18)
InChIKeyYEHISZZQGZDODI-UHFFFAOYSA-N
XLogP1.82
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,6-dichlorophenyl)-2-[2-[ethyl(methyl)amino]ethylamino]acetamide
CID 62642488
N-(2-chlorophenyl)-2-[2-[2-methoxyethyl(methyl)amino]ethylamino]acetamide
CID 62843980
N-(2-chlorophenyl)-2-[2-[cyclopropyl(methyl)amino]ethylamino]acetamide
CID 55140260
N-(2-chlorophenyl)-2-(prop-2-enylamino)acetamide
CID 28563439
N-(2-chlorophenyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide
CID 60660334
N-(2-chlorophenyl)-3-(ethylamino)propanamide
CID 62832290
N-(2-bromophenyl)-2-[2-(dimethylamino)ethylamino]acetamide
CID 28586901
2-[2-(dimethylamino)ethylamino]-N-(2-fluorophenyl)acetamide
CID 28586883
2-(propylamino)-N-[2-[[2-(propylamino)acetyl]amino]phenyl]acetamide;hydrochloride
CID 54601113
methyl 3-[[3-(2-chloroanilino)-3-oxopropyl]-methylamino]propanoate
CID 62012452
N-(2-chlorophenyl)-2-(2-pyridin-2-ylethylamino)acetamide
CID 28579213
N-(2-chlorophenyl)-2-sulfanylacetamide
CID 679489

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[2-[ethyl(methyl)amino]ethylamino]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[2-[ethyl(methyl)amino]ethylamino]acetamide (CID 62640663) is N-(2-chlorophenyl)-2-[2-[ethyl(methyl)amino]ethylamino]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[2-[ethyl(methyl)amino]ethylamino]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[2-[ethyl(methyl)amino]ethylamino]acetamide is CCN(C)CCNCC(=O)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-[2-[ethyl(methyl)amino]ethylamino]acetamide?
The InChIKey is YEHISZZQGZDODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-3-17(2)9-8-15-10-13(18)16-12-7-5-4-6-11(12)14/h4-7,15H,3,8-10H2,1-2H3,(H,16,18).
What are the key properties of N-(2-chlorophenyl)-2-[2-[ethyl(methyl)amino]ethylamino]acetamide?
N-(2-chlorophenyl)-2-[2-[ethyl(methyl)amino]ethylamino]acetamide has a molecular weight of 269.78 g/mol, XLogP of 1.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[2-[ethyl(methyl)amino]ethylamino]acetamide is sourced from PubChem (CID 62640663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).