N-(3-aminophenyl)-2-[2-ethoxyethyl(methyl)amino]acetamide

C13H21N3O2 — CID 81052724

IUPACN-(3-aminophenyl)-2-[2-ethoxyethyl(methyl)amino]acetamide
SMILESCCOCCN(C)CC(=O)Nc1cccc(N)c1
InChIInChI=1S/C13H21N3O2/c1-3-18-8-7-16(2)10-13(17)15-12-6-4-5-11(14)9-12/h4-6,9H,3,7-8,10,14H2,1-2H3,(H,15,17)
InChIKeyPFCYBTCFIFPNMD-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.18
Rot. Bonds7

About N-(3-aminophenyl)-2-[2-ethoxyethyl(methyl)amino]acetamide

N-(3-aminophenyl)-2-[2-ethoxyethyl(methyl)amino]acetamide (PubChem CID 81052724) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-(3-aminophenyl)-2-[2-ethoxyethyl(methyl)amino]acetamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-2-[2-ethoxyethyl(methyl)amino]acetamide
PubChem CID81052724
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN-(3-aminophenyl)-2-[2-ethoxyethyl(methyl)amino]acetamide
SMILESCCOCCN(C)CC(=O)Nc1cccc(N)c1
InChIInChI=1S/C13H21N3O2/c1-3-18-8-7-16(2)10-13(17)15-12-6-4-5-11(14)9-12/h4-6,9H,3,7-8,10,14H2,1-2H3,(H,15,17)
InChIKeyPFCYBTCFIFPNMD-UHFFFAOYSA-N
XLogP1.18
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.18
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

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-[4-(aminomethyl)phenyl]-2-[2-ethoxyethyl(methyl)amino]acetamide
CID 81058978
N-(3-aminophenyl)-2-[(2-bromophenyl)methyl-methylamino]acetamide
CID 61416513
N-(3-aminophenyl)-2-(dibutylamino)acetamide
CID 28982406
N-(3-aminophenyl)-2-(N-methylanilino)acetamide
CID 16779401
N-(3-aminophenyl)-2-(N-ethylanilino)acetamide
CID 16790236
N-(4-aminophenyl)-4-[2-ethoxyethyl(methyl)amino]butanamide
CID 81053044
N-(3-aminophenyl)-2-[cyclopropyl(2-methoxyethyl)amino]acetamide
CID 61450066
N-(3-amino-4-fluorophenyl)-3-[2-ethoxyethyl(methyl)amino]propanamide
CID 81053508
N-(3-aminophenyl)-4-[benzyl(methyl)amino]butanamide
CID 18070061
N-(3-ethylphenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide
CID 26509200

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-2-[2-ethoxyethyl(methyl)amino]acetamide?
The IUPAC name of N-(3-aminophenyl)-2-[2-ethoxyethyl(methyl)amino]acetamide (CID 81052724) is N-(3-aminophenyl)-2-[2-ethoxyethyl(methyl)amino]acetamide.
What is the SMILES notation for N-(3-aminophenyl)-2-[2-ethoxyethyl(methyl)amino]acetamide?
The canonical SMILES for N-(3-aminophenyl)-2-[2-ethoxyethyl(methyl)amino]acetamide is CCOCCN(C)CC(=O)Nc1cccc(N)c1.
What is the InChIKey of N-(3-aminophenyl)-2-[2-ethoxyethyl(methyl)amino]acetamide?
The InChIKey is PFCYBTCFIFPNMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-3-18-8-7-16(2)10-13(17)15-12-6-4-5-11(14)9-12/h4-6,9H,3,7-8,10,14H2,1-2H3,(H,15,17).
What are the key properties of N-(3-aminophenyl)-2-[2-ethoxyethyl(methyl)amino]acetamide?
N-(3-aminophenyl)-2-[2-ethoxyethyl(methyl)amino]acetamide has a molecular weight of 251.33 g/mol, XLogP of 1.18, 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-[2-ethoxyethyl(methyl)amino]acetamide is sourced from PubChem (CID 81052724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).