3-[3-amino-4-(2-phenoxyethoxy)phenyl]-N,N-dimethylpropanamide

C19H24N2O3 — CID 82153398

IUPAC3-[3-amino-4-(2-phenoxyethoxy)phenyl]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCc1ccc(OCCOc2ccccc2)c(N)c1
InChIInChI=1S/C19H24N2O3/c1-21(2)19(22)11-9-15-8-10-18(17(20)14-15)24-13-12-23-16-6-4-3-5-7-16/h3-8,10,14H,9,11-13,20H2,1-2H3
InChIKeyDQLPSKWOPBFBKJ-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.75
Rot. Bonds8

About 3-[3-amino-4-(2-phenoxyethoxy)phenyl]-N,N-dimethylpropanamide

3-[3-amino-4-(2-phenoxyethoxy)phenyl]-N,N-dimethylpropanamide (PubChem CID 82153398) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 3-[3-amino-4-(2-phenoxyethoxy)phenyl]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[3-amino-4-(2-phenoxyethoxy)phenyl]-N,N-dimethylpropanamide
PubChem CID82153398
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name3-[3-amino-4-(2-phenoxyethoxy)phenyl]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCc1ccc(OCCOc2ccccc2)c(N)c1
InChIInChI=1S/C19H24N2O3/c1-21(2)19(22)11-9-15-8-10-18(17(20)14-15)24-13-12-23-16-6-4-3-5-7-16/h3-8,10,14H,9,11-13,20H2,1-2H3
InChIKeyDQLPSKWOPBFBKJ-UHFFFAOYSA-N
XLogP2.75
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.75
H-Bond Donors ≤ 51
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

3-(3-amino-4-propoxyphenyl)-N,N-dimethylpropanamide
CID 82153364
3-[3-amino-4-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylpropanamide
CID 82153401
3-(3-amino-4-propoxyphenyl)-N,N-dipropylpropanamide
CID 94759946
3-(3-amino-4-butoxyphenyl)propanoic acid
CID 82152584
methyl 3-amino-4-(2-phenoxyethoxy)benzoate
CID 61305621
N,N-dimethyl-6-phenoxyhexanamide
CID 142596913
3-(3-amino-4-prop-2-enoxyphenyl)-N-ethyl-N-phenylpropanamide
CID 82153394
3-(4-aminonaphthalen-1-yl)oxy-N,N-dimethylpropanamide
CID 63691333
3-(2-aminophenyl)-N-methyl-N-(3-phenoxypropyl)propanamide
CID 120609279
N-[[4-[3-(dimethylamino)-3-oxopropyl]phenyl]carbamothioyl]-3-(2-phenoxyethoxy)benzamide
CID 46760745
3-[3-amino-4-(diethylamino)phenyl]-N,N-dimethylpropanamide
CID 39131014
3-[3-ethoxy-4-[2-(2-ethoxyphenoxy)ethoxy]phenyl]propanoic acid
CID 20985123

Frequently Asked Questions

What is the IUPAC name of 3-[3-amino-4-(2-phenoxyethoxy)phenyl]-N,N-dimethylpropanamide?
The IUPAC name of 3-[3-amino-4-(2-phenoxyethoxy)phenyl]-N,N-dimethylpropanamide (CID 82153398) is 3-[3-amino-4-(2-phenoxyethoxy)phenyl]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[3-amino-4-(2-phenoxyethoxy)phenyl]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[3-amino-4-(2-phenoxyethoxy)phenyl]-N,N-dimethylpropanamide is CN(C)C(=O)CCc1ccc(OCCOc2ccccc2)c(N)c1.
What is the InChIKey of 3-[3-amino-4-(2-phenoxyethoxy)phenyl]-N,N-dimethylpropanamide?
The InChIKey is DQLPSKWOPBFBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-21(2)19(22)11-9-15-8-10-18(17(20)14-15)24-13-12-23-16-6-4-3-5-7-16/h3-8,10,14H,9,11-13,20H2,1-2H3.
What are the key properties of 3-[3-amino-4-(2-phenoxyethoxy)phenyl]-N,N-dimethylpropanamide?
3-[3-amino-4-(2-phenoxyethoxy)phenyl]-N,N-dimethylpropanamide has a molecular weight of 328.41 g/mol, XLogP of 2.75, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-amino-4-(2-phenoxyethoxy)phenyl]-N,N-dimethylpropanamide is sourced from PubChem (CID 82153398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).