N-[2-(3-methoxypropylamino)-2-oxoethyl]-3-phenylpropanamide

C15H22N2O3 — CID 112991215

IUPACN-[2-(3-methoxypropylamino)-2-oxoethyl]-3-phenylpropanamide
SMILESCOCCCNC(=O)CNC(=O)CCc1ccccc1
InChIInChI=1S/C15H22N2O3/c1-20-11-5-10-16-15(19)12-17-14(18)9-8-13-6-3-2-4-7-13/h2-4,6-7H,5,8-12H2,1H3,(H,16,19)(H,17,18)
InChIKeyJSBUNTQBSBNRAN-UHFFFAOYSA-N
MW278.35 g/mol
LogP0.89
Rot. Bonds9

About N-[2-(3-methoxypropylamino)-2-oxoethyl]-3-phenylpropanamide

N-[2-(3-methoxypropylamino)-2-oxoethyl]-3-phenylpropanamide (PubChem CID 112991215) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-[2-(3-methoxypropylamino)-2-oxoethyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-(3-methoxypropylamino)-2-oxoethyl]-3-phenylpropanamide
PubChem CID112991215
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-[2-(3-methoxypropylamino)-2-oxoethyl]-3-phenylpropanamide
SMILESCOCCCNC(=O)CNC(=O)CCc1ccccc1
InChIInChI=1S/C15H22N2O3/c1-20-11-5-10-16-15(19)12-17-14(18)9-8-13-6-3-2-4-7-13/h2-4,6-7H,5,8-12H2,1H3,(H,16,19)(H,17,18)
InChIKeyJSBUNTQBSBNRAN-UHFFFAOYSA-N
XLogP0.89
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-[2-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]-2-oxoethyl]carbamate
CID 126009561
3-[4-(dimethylamino)phenyl]-N-(3-methoxypropyl)propanamide
CID 110464572
3-(2-methoxyethylamino)-N-(3-phenylpropyl)propanamide
CID 109015207
methyl 2-(3-phenylpropanoylamino)acetate
CID 3927875
N-(3-methoxypropyl)-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 51180667
3-(3-aminophenyl)-N-[3-(2-methoxyethoxy)propyl]propanamide
CID 115341362
N-(4-methoxybutyl)-3-(3-methoxyphenyl)propanamide
CID 110418006
N-(3-methoxypropyl)-3-phenylsulfanylpropanamide
CID 3138314
3-(4-methylphenyl)-N-(3-phenoxypropyl)propanamide
CID 10803968
3-[benzyl(ethyl)amino]-N-(3-methoxypropyl)propanamide
CID 109015351
N-(2-methoxyethoxy)-3-phenylpropanamide
CID 79676400
3-(3-methoxyphenyl)-N-(3-phenylpropyl)propanamide
CID 127121905

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxypropylamino)-2-oxoethyl]-3-phenylpropanamide?
The IUPAC name of N-[2-(3-methoxypropylamino)-2-oxoethyl]-3-phenylpropanamide (CID 112991215) is N-[2-(3-methoxypropylamino)-2-oxoethyl]-3-phenylpropanamide.
What is the SMILES notation for N-[2-(3-methoxypropylamino)-2-oxoethyl]-3-phenylpropanamide?
The canonical SMILES for N-[2-(3-methoxypropylamino)-2-oxoethyl]-3-phenylpropanamide is COCCCNC(=O)CNC(=O)CCc1ccccc1.
What is the InChIKey of N-[2-(3-methoxypropylamino)-2-oxoethyl]-3-phenylpropanamide?
The InChIKey is JSBUNTQBSBNRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-20-11-5-10-16-15(19)12-17-14(18)9-8-13-6-3-2-4-7-13/h2-4,6-7H,5,8-12H2,1H3,(H,16,19)(H,17,18).
What are the key properties of N-[2-(3-methoxypropylamino)-2-oxoethyl]-3-phenylpropanamide?
N-[2-(3-methoxypropylamino)-2-oxoethyl]-3-phenylpropanamide has a molecular weight of 278.35 g/mol, XLogP of 0.89, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxypropylamino)-2-oxoethyl]-3-phenylpropanamide is sourced from PubChem (CID 112991215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).