3-(2-aminophenyl)-N-methyl-N-(3-phenoxypropyl)propanamide

C19H24N2O2 — CID 120609279

IUPAC3-(2-aminophenyl)-N-methyl-N-(3-phenoxypropyl)propanamide
SMILESCN(CCCOc1ccccc1)C(=O)CCc1ccccc1N
InChIInChI=1S/C19H24N2O2/c1-21(14-7-15-23-17-9-3-2-4-10-17)19(22)13-12-16-8-5-6-11-18(16)20/h2-6,8-11H,7,12-15,20H2,1H3
InChIKeyAMQNAKJBLIRPLD-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.13
Rot. Bonds8

About 3-(2-aminophenyl)-N-methyl-N-(3-phenoxypropyl)propanamide

3-(2-aminophenyl)-N-methyl-N-(3-phenoxypropyl)propanamide (PubChem CID 120609279) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-methyl-N-(3-phenoxypropyl)propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-methyl-N-(3-phenoxypropyl)propanamide
PubChem CID120609279
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name3-(2-aminophenyl)-N-methyl-N-(3-phenoxypropyl)propanamide
SMILESCN(CCCOc1ccccc1)C(=O)CCc1ccccc1N
InChIInChI=1S/C19H24N2O2/c1-21(14-7-15-23-17-9-3-2-4-10-17)19(22)13-12-16-8-5-6-11-18(16)20/h2-6,8-11H,7,12-15,20H2,1H3
InChIKeyAMQNAKJBLIRPLD-UHFFFAOYSA-N
XLogP3.13
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

3-(2-aminophenyl)-N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylpropanamide
CID 120611859
3-(2-aminophenyl)-N-[2-(4-chlorophenoxy)ethyl]-N-methylpropanamide
CID 120608115
3-(2-aminophenyl)-N-methyl-N-[3-(2-methylphenoxy)propyl]propanamide;hydrochloride
CID 120609501
3-(2-aminophenyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide;hydrochloride
CID 120608367
3-amino-N-methyl-N-(3-phenoxypropyl)propanamide;hydrochloride
CID 119294025
3-[3-(2-aminophenyl)propanoyl-methylamino]propanoic acid
CID 107273041
3-(2-aminophenyl)-N-(2-ethoxyethyl)-N-methylpropanamide
CID 81061981
3-chloro-N-methyl-N-(3-phenoxypropyl)propanamide
CID 54874962
3-(2-aminophenyl)-N-methyl-N-pent-4-enylpropanamide
CID 107273406
3-(2-aminophenyl)-N-methyl-N-(2-propan-2-yloxyethyl)propanamide
CID 81062073
3-(2-aminophenyl)-N-[2-(2-fluorophenoxy)ethyl]-N-methylpropanamide
CID 120608378
N-methyl-N-(3-phenoxypropyl)-3-pyridin-4-ylpropanamide
CID 60508904

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-methyl-N-(3-phenoxypropyl)propanamide?
The IUPAC name of 3-(2-aminophenyl)-N-methyl-N-(3-phenoxypropyl)propanamide (CID 120609279) is 3-(2-aminophenyl)-N-methyl-N-(3-phenoxypropyl)propanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-methyl-N-(3-phenoxypropyl)propanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-methyl-N-(3-phenoxypropyl)propanamide is CN(CCCOc1ccccc1)C(=O)CCc1ccccc1N.
What is the InChIKey of 3-(2-aminophenyl)-N-methyl-N-(3-phenoxypropyl)propanamide?
The InChIKey is AMQNAKJBLIRPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-21(14-7-15-23-17-9-3-2-4-10-17)19(22)13-12-16-8-5-6-11-18(16)20/h2-6,8-11H,7,12-15,20H2,1H3.
What are the key properties of 3-(2-aminophenyl)-N-methyl-N-(3-phenoxypropyl)propanamide?
3-(2-aminophenyl)-N-methyl-N-(3-phenoxypropyl)propanamide has a molecular weight of 312.41 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-methyl-N-(3-phenoxypropyl)propanamide is sourced from PubChem (CID 120609279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).