N-[(2-aminophenyl)methyl]-N-cyclopropyl-3-methoxypropanamide

C14H20N2O2 — CID 55091731

IUPACN-[(2-aminophenyl)methyl]-N-cyclopropyl-3-methoxypropanamide
SMILESCOCCC(=O)N(Cc1ccccc1N)C1CC1
InChIInChI=1S/C14H20N2O2/c1-18-9-8-14(17)16(12-6-7-12)10-11-4-2-3-5-13(11)15/h2-5,12H,6-10,15H2,1H3
InChIKeyRPTYXPOKAOBZLN-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.80
Rot. Bonds6

About N-[(2-aminophenyl)methyl]-N-cyclopropyl-3-methoxypropanamide

N-[(2-aminophenyl)methyl]-N-cyclopropyl-3-methoxypropanamide (PubChem CID 55091731) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-N-cyclopropyl-3-methoxypropanamide.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-N-cyclopropyl-3-methoxypropanamide
PubChem CID55091731
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-[(2-aminophenyl)methyl]-N-cyclopropyl-3-methoxypropanamide
SMILESCOCCC(=O)N(Cc1ccccc1N)C1CC1
InChIInChI=1S/C14H20N2O2/c1-18-9-8-14(17)16(12-6-7-12)10-11-4-2-3-5-13(11)15/h2-5,12H,6-10,15H2,1H3
InChIKeyRPTYXPOKAOBZLN-UHFFFAOYSA-N
XLogP1.80
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-[(2-aminophenyl)methyl]-N-cyclopropylcarbamate
CID 43460945
N-[(2-aminophenyl)methyl]-N-cyclopropyl-2-thiophen-3-ylacetamide
CID 43460875
3-(2-aminophenyl)-N-cyclopropyl-N-[(4-ethylphenyl)methyl]propanamide
CID 120608816
N-[(2-aminophenyl)methyl]-N-cyclopropyl-2,2-dimethylbutanamide
CID 55102715
N-[(2-aminophenyl)methyl]-3-ethoxy-N-ethylpropanamide
CID 62589527
3-(2-aminophenoxy)-N-cyclopropyl-N-ethylpropanamide
CID 61095746
N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide
CID 60666172
3-[(2-aminophenyl)methyl-cyclopropylamino]-N,N-dimethylpropanamide
CID 54879017
4-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide
CID 54869271
N-cyclopropyl-3-(2,5-dimethylphenoxy)-N-[(2-fluorophenyl)methyl]propanamide
CID 134013720
2-(2-aminophenyl)-N-(2-methoxyethyl)-N-(thiolan-3-yl)acetamide
CID 61106399
4-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide;hydrochloride
CID 119272346

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-N-cyclopropyl-3-methoxypropanamide?
The IUPAC name of N-[(2-aminophenyl)methyl]-N-cyclopropyl-3-methoxypropanamide (CID 55091731) is N-[(2-aminophenyl)methyl]-N-cyclopropyl-3-methoxypropanamide.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-N-cyclopropyl-3-methoxypropanamide?
The canonical SMILES for N-[(2-aminophenyl)methyl]-N-cyclopropyl-3-methoxypropanamide is COCCC(=O)N(Cc1ccccc1N)C1CC1.
What is the InChIKey of N-[(2-aminophenyl)methyl]-N-cyclopropyl-3-methoxypropanamide?
The InChIKey is RPTYXPOKAOBZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-18-9-8-14(17)16(12-6-7-12)10-11-4-2-3-5-13(11)15/h2-5,12H,6-10,15H2,1H3.
What are the key properties of N-[(2-aminophenyl)methyl]-N-cyclopropyl-3-methoxypropanamide?
N-[(2-aminophenyl)methyl]-N-cyclopropyl-3-methoxypropanamide has a molecular weight of 248.33 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminophenyl)methyl]-N-cyclopropyl-3-methoxypropanamide is sourced from PubChem (CID 55091731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).