N-[(4-aminophenyl)methyl]-3-methoxy-N-propylpropanamide

C14H22N2O2 — CID 55091685

IUPACN-[(4-aminophenyl)methyl]-3-methoxy-N-propylpropanamide
SMILESCCCN(Cc1ccc(N)cc1)C(=O)CCOC
InChIInChI=1S/C14H22N2O2/c1-3-9-16(14(17)8-10-18-2)11-12-4-6-13(15)7-5-12/h4-7H,3,8-11,15H2,1-2H3
InChIKeyFVIQAGAIIOFUSG-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.04
Rot. Bonds7

About N-[(4-aminophenyl)methyl]-3-methoxy-N-propylpropanamide

N-[(4-aminophenyl)methyl]-3-methoxy-N-propylpropanamide (PubChem CID 55091685) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-3-methoxy-N-propylpropanamide.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-3-methoxy-N-propylpropanamide
PubChem CID55091685
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-[(4-aminophenyl)methyl]-3-methoxy-N-propylpropanamide
SMILESCCCN(Cc1ccc(N)cc1)C(=O)CCOC
InChIInChI=1S/C14H22N2O2/c1-3-9-16(14(17)8-10-18-2)11-12-4-6-13(15)7-5-12/h4-7H,3,8-11,15H2,1-2H3
InChIKeyFVIQAGAIIOFUSG-UHFFFAOYSA-N
XLogP2.04
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

ethyl N-[(4-aminophenyl)methyl]-N-propylcarbamate
CID 43459532
2-(2-methoxyethoxy)-N-[(4-methylphenyl)methyl]-N-propylacetamide
CID 103602434
N-[(4-aminophenyl)methyl]-2-methyl-N-propylpropanamide
CID 43459453
N-[(4-aminophenyl)methyl]-2-cyclobutyl-N-propylacetamide
CID 103161528
2-(4-aminophenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide;hydrochloride
CID 119684727
N-[(3-aminophenyl)methyl]-N-ethyl-3-methoxypropanamide
CID 62588734
2-[(4-aminophenyl)methyl-propylamino]-N-(2-methoxyethyl)acetamide
CID 61487336
N-[(4-aminophenyl)methyl]-3-(2,2-difluoroethoxy)-N-ethylpropanamide
CID 103205538
N-[(4-aminophenyl)methyl]-3-ethoxy-N-methylpropanamide
CID 62589156
2-(4-aminophenyl)-N-butan-2-yl-N-(2-methoxyethyl)acetamide
CID 55001222
N-[(3,4-dimethoxyphenyl)methyl]-N-propylbutanamide
CID 71106778
N-(2-amino-2-oxoethyl)-N-[(4-aminophenyl)methyl]hexanamide
CID 43461046

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-3-methoxy-N-propylpropanamide?
The IUPAC name of N-[(4-aminophenyl)methyl]-3-methoxy-N-propylpropanamide (CID 55091685) is N-[(4-aminophenyl)methyl]-3-methoxy-N-propylpropanamide.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-3-methoxy-N-propylpropanamide?
The canonical SMILES for N-[(4-aminophenyl)methyl]-3-methoxy-N-propylpropanamide is CCCN(Cc1ccc(N)cc1)C(=O)CCOC.
What is the InChIKey of N-[(4-aminophenyl)methyl]-3-methoxy-N-propylpropanamide?
The InChIKey is FVIQAGAIIOFUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-9-16(14(17)8-10-18-2)11-12-4-6-13(15)7-5-12/h4-7H,3,8-11,15H2,1-2H3.
What are the key properties of N-[(4-aminophenyl)methyl]-3-methoxy-N-propylpropanamide?
N-[(4-aminophenyl)methyl]-3-methoxy-N-propylpropanamide has a molecular weight of 250.34 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]-3-methoxy-N-propylpropanamide is sourced from PubChem (CID 55091685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).