2-(2-aminophenyl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide

C14H21N3O2 — CID 61115422

IUPAC2-(2-aminophenyl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide
SMILESCCCNC(=O)CN(C)C(=O)Cc1ccccc1N
InChIInChI=1S/C14H21N3O2/c1-3-8-16-13(18)10-17(2)14(19)9-11-6-4-5-7-12(11)15/h4-7H,3,8-10,15H2,1-2H3,(H,16,18)
InChIKeyQFAFGTVSKPCSFA-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.80
Rot. Bonds6

About 2-(2-aminophenyl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide

2-(2-aminophenyl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide (PubChem CID 61115422) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-(2-aminophenyl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-aminophenyl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide
PubChem CID61115422
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-(2-aminophenyl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide
SMILESCCCNC(=O)CN(C)C(=O)Cc1ccccc1N
InChIInChI=1S/C14H21N3O2/c1-3-8-16-13(18)10-17(2)14(19)9-11-6-4-5-7-12(11)15/h4-7H,3,8-10,15H2,1-2H3,(H,16,18)
InChIKeyQFAFGTVSKPCSFA-UHFFFAOYSA-N
XLogP0.80
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminophenyl)-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]acetamide
CID 61110220
2-(2-amino-N-methylanilino)-N-propylacetamide
CID 61453152
2-(2-aminophenyl)-N-[(2-hydroxyphenyl)methyl]-N-methylacetamide
CID 61115894
N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 60636554
2-(4-aminopyrazol-1-yl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide
CID 61116168
3-(4-aminophenyl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]propanamide
CID 61115612
2-[2-[[2-(ethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]benzoic acid
CID 104601429
N-methyl-2-(4-oxo-3H-phthalazin-1-yl)-N-[2-oxo-2-(propylamino)ethyl]acetamide
CID 8853304
methyl 2-amino-6-[[methyl-[2-oxo-2-(propylamino)ethyl]amino]methyl]benzoate
CID 104824482
2-(2-aminophenyl)-N,N-dimethylacetamide;hydrochloride
CID 141352115
2-[(2-aminophenyl)methyl-methylamino]-N-ethylacetamide
CID 43458547
3,5-diamino-N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 61115445

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide?
The IUPAC name of 2-(2-aminophenyl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide (CID 61115422) is 2-(2-aminophenyl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide.
What is the SMILES notation for 2-(2-aminophenyl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide?
The canonical SMILES for 2-(2-aminophenyl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide is CCCNC(=O)CN(C)C(=O)Cc1ccccc1N.
What is the InChIKey of 2-(2-aminophenyl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide?
The InChIKey is QFAFGTVSKPCSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-3-8-16-13(18)10-17(2)14(19)9-11-6-4-5-7-12(11)15/h4-7H,3,8-10,15H2,1-2H3,(H,16,18).
What are the key properties of 2-(2-aminophenyl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide?
2-(2-aminophenyl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide has a molecular weight of 263.34 g/mol, XLogP of 0.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide is sourced from PubChem (CID 61115422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).