N-(3-aminophenyl)-2-[cyclopropyl(2-methoxyethyl)amino]acetamide

C14H21N3O2 — CID 61450066

IUPACN-(3-aminophenyl)-2-[cyclopropyl(2-methoxyethyl)amino]acetamide
SMILESCOCCN(CC(=O)Nc1cccc(N)c1)C1CC1
InChIInChI=1S/C14H21N3O2/c1-19-8-7-17(13-5-6-13)10-14(18)16-12-4-2-3-11(15)9-12/h2-4,9,13H,5-8,10,15H2,1H3,(H,16,18)
InChIKeyVEDVASPZUOQAIF-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.32
Rot. Bonds7

About N-(3-aminophenyl)-2-[cyclopropyl(2-methoxyethyl)amino]acetamide

N-(3-aminophenyl)-2-[cyclopropyl(2-methoxyethyl)amino]acetamide (PubChem CID 61450066) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-(3-aminophenyl)-2-[cyclopropyl(2-methoxyethyl)amino]acetamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-2-[cyclopropyl(2-methoxyethyl)amino]acetamide
PubChem CID61450066
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-(3-aminophenyl)-2-[cyclopropyl(2-methoxyethyl)amino]acetamide
SMILESCOCCN(CC(=O)Nc1cccc(N)c1)C1CC1
InChIInChI=1S/C14H21N3O2/c1-19-8-7-17(13-5-6-13)10-14(18)16-12-4-2-3-11(15)9-12/h2-4,9,13H,5-8,10,15H2,1H3,(H,16,18)
InChIKeyVEDVASPZUOQAIF-UHFFFAOYSA-N
XLogP1.32
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(aminomethyl)phenyl]-2-[cyclopropyl(2-methoxyethyl)amino]acetamide
CID 61453245
N-[3-(aminomethyl)phenyl]-3-[cyclopropyl(2-methoxyethyl)amino]propanamide
CID 61453328
N-(3-aminophenyl)-2-methoxyacetamide
CID 11137720
3-(3-aminophenyl)-1-butan-2-yl-1-(2-methoxyethyl)urea
CID 55000887
N-(3-aminophenyl)-2-[2-methoxyethyl(methyl)amino]propanamide
CID 61429180
3-[cyclopropyl-[2-(3-ethylanilino)-2-oxoethyl]amino]propanoic acid
CID 60838182
N-(3-aminophenyl)-2-[2-ethoxyethyl(methyl)amino]acetamide
CID 81052724
N-(3-aminophenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]acetamide
CID 81058953
3-[[2-(3-aminoanilino)-2-oxoethyl]-methylamino]propanoic acid
CID 82224717
N-(3-aminophenyl)-2-(2-methoxyethylsulfinyl)acetamide
CID 61288850
3-[3-[cyclopropyl(2-methoxyethyl)amino]propyl]aniline
CID 113290639
methyl 3-[3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]propanoylamino]benzoate
CID 84567361

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-2-[cyclopropyl(2-methoxyethyl)amino]acetamide?
The IUPAC name of N-(3-aminophenyl)-2-[cyclopropyl(2-methoxyethyl)amino]acetamide (CID 61450066) is N-(3-aminophenyl)-2-[cyclopropyl(2-methoxyethyl)amino]acetamide.
What is the SMILES notation for N-(3-aminophenyl)-2-[cyclopropyl(2-methoxyethyl)amino]acetamide?
The canonical SMILES for N-(3-aminophenyl)-2-[cyclopropyl(2-methoxyethyl)amino]acetamide is COCCN(CC(=O)Nc1cccc(N)c1)C1CC1.
What is the InChIKey of N-(3-aminophenyl)-2-[cyclopropyl(2-methoxyethyl)amino]acetamide?
The InChIKey is VEDVASPZUOQAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-19-8-7-17(13-5-6-13)10-14(18)16-12-4-2-3-11(15)9-12/h2-4,9,13H,5-8,10,15H2,1H3,(H,16,18).
What are the key properties of N-(3-aminophenyl)-2-[cyclopropyl(2-methoxyethyl)amino]acetamide?
N-(3-aminophenyl)-2-[cyclopropyl(2-methoxyethyl)amino]acetamide has a molecular weight of 263.34 g/mol, XLogP of 1.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-2-[cyclopropyl(2-methoxyethyl)amino]acetamide is sourced from PubChem (CID 61450066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).