2-[(3-aminophenyl)methyl-cyclopropylamino]-N-(2-methoxyethyl)propanamide

C16H25N3O2 — CID 43460860

IUPAC2-[(3-aminophenyl)methyl-cyclopropylamino]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)N(Cc1cccc(N)c1)C1CC1
InChIInChI=1S/C16H25N3O2/c1-12(16(20)18-8-9-21-2)19(15-6-7-15)11-13-4-3-5-14(17)10-13/h3-5,10,12,15H,6-9,11,17H2,1-2H3,(H,18,20)
InChIKeyRLEITZFUYJCYNX-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.38
Rot. Bonds8

About 2-[(3-aminophenyl)methyl-cyclopropylamino]-N-(2-methoxyethyl)propanamide

2-[(3-aminophenyl)methyl-cyclopropylamino]-N-(2-methoxyethyl)propanamide (PubChem CID 43460860) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 2-[(3-aminophenyl)methyl-cyclopropylamino]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name2-[(3-aminophenyl)methyl-cyclopropylamino]-N-(2-methoxyethyl)propanamide
PubChem CID43460860
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name2-[(3-aminophenyl)methyl-cyclopropylamino]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)N(Cc1cccc(N)c1)C1CC1
InChIInChI=1S/C16H25N3O2/c1-12(16(20)18-8-9-21-2)19(15-6-7-15)11-13-4-3-5-14(17)10-13/h3-5,10,12,15H,6-9,11,17H2,1-2H3,(H,18,20)
InChIKeyRLEITZFUYJCYNX-UHFFFAOYSA-N
XLogP1.38
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.38
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

2-[(3-aminophenyl)methyl-cyclopropylamino]-N-propylpropanamide
CID 43460855
2-[3-aminopropyl(cyclopropyl)amino]-N-(2-methoxyethyl)propanamide
CID 43137532
3-[[(4-ethylcyclohexyl)-propan-2-ylamino]methyl]aniline
CID 64748919
N-[(3-aminophenyl)methyl]-N,2-dicyclopropylpropanamide
CID 83146723
N-(4-aminophenyl)-2-[cyclopropyl(2-methoxyethyl)amino]propanamide
CID 61450272
1-[(3-aminophenyl)methyl]-3-cyclopropyl-1-propan-2-ylurea
CID 62700032
2-(3-aminophenyl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylacetamide
CID 62499845
2-[[3-(aminomethyl)phenyl]methyl-methylamino]-N-(3-methoxypropyl)propanamide
CID 43248778
N-(3-aminophenyl)-2-[cyclopropyl(3-methylbutyl)amino]propanamide
CID 78973756
3-[[(3,4-dimethylcyclohexyl)-propan-2-ylamino]methyl]aniline
CID 64738779
(2S)-N-carbamoyl-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]propanamide
CID 8770549
2-[benzyl(cyclopropyl)amino]propanoic acid
CID 119134457

Frequently Asked Questions

What is the IUPAC name of 2-[(3-aminophenyl)methyl-cyclopropylamino]-N-(2-methoxyethyl)propanamide?
The IUPAC name of 2-[(3-aminophenyl)methyl-cyclopropylamino]-N-(2-methoxyethyl)propanamide (CID 43460860) is 2-[(3-aminophenyl)methyl-cyclopropylamino]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 2-[(3-aminophenyl)methyl-cyclopropylamino]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 2-[(3-aminophenyl)methyl-cyclopropylamino]-N-(2-methoxyethyl)propanamide is COCCNC(=O)C(C)N(Cc1cccc(N)c1)C1CC1.
What is the InChIKey of 2-[(3-aminophenyl)methyl-cyclopropylamino]-N-(2-methoxyethyl)propanamide?
The InChIKey is RLEITZFUYJCYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-12(16(20)18-8-9-21-2)19(15-6-7-15)11-13-4-3-5-14(17)10-13/h3-5,10,12,15H,6-9,11,17H2,1-2H3,(H,18,20).
What are the key properties of 2-[(3-aminophenyl)methyl-cyclopropylamino]-N-(2-methoxyethyl)propanamide?
2-[(3-aminophenyl)methyl-cyclopropylamino]-N-(2-methoxyethyl)propanamide has a molecular weight of 291.40 g/mol, XLogP of 1.38, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-aminophenyl)methyl-cyclopropylamino]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 43460860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).