3-amino-N-methyl-N-(4-propoxyphenyl)propanamide

C13H20N2O2 — CID 98784032

IUPAC3-amino-N-methyl-N-(4-propoxyphenyl)propanamide
SMILESCCCOc1ccc(N(C)C(=O)CCN)cc1
InChIInChI=1S/C13H20N2O2/c1-3-10-17-12-6-4-11(5-7-12)15(2)13(16)8-9-14/h4-7H,3,8-10,14H2,1-2H3
InChIKeyALRHHPFTWWOISU-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.79
Rot. Bonds6

About 3-amino-N-methyl-N-(4-propoxyphenyl)propanamide

3-amino-N-methyl-N-(4-propoxyphenyl)propanamide (PubChem CID 98784032) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-amino-N-methyl-N-(4-propoxyphenyl)propanamide.

Molecular Properties

Compound Name3-amino-N-methyl-N-(4-propoxyphenyl)propanamide
PubChem CID98784032
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name3-amino-N-methyl-N-(4-propoxyphenyl)propanamide
SMILESCCCOc1ccc(N(C)C(=O)CCN)cc1
InChIInChI=1S/C13H20N2O2/c1-3-10-17-12-6-4-11(5-7-12)15(2)13(16)8-9-14/h4-7H,3,8-10,14H2,1-2H3
InChIKeyALRHHPFTWWOISU-UHFFFAOYSA-N
XLogP1.79
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(3-aminopropoxy)phenyl]-N-methylpropanamide
CID 28755910
N-methyl-2-(methylamino)-N-(4-propoxyphenyl)acetamide
CID 98784031
3-amino-N-methyl-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanamide
CID 96676188
N-[3-(2-aminoethoxy)phenyl]-N-methylbutanamide
CID 28755982
N-[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-N-methylhexanamide
CID 70067011
3-(4-propoxyphenoxy)propanehydrazide
CID 63576064
N-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]hexanamide
CID 70058532
N-(4-hydroxyphenyl)-N-methyl-3-propoxypropanamide
CID 62716161
N-(4-ethoxyphenyl)-N-methyl-3-pyrrol-1-ylbutanamide
CID 71930249
3-(4-ethoxy-N-methylanilino)-3-oxopropanoic acid
CID 115163301
N-(4-aminophenyl)-N-methyl-3-(3-methylphenoxy)propanamide
CID 28894175
N-[4-(3-aminopropoxy)phenyl]-N-methylcyclopropanecarboxamide
CID 28755916

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-(4-propoxyphenyl)propanamide?
The IUPAC name of 3-amino-N-methyl-N-(4-propoxyphenyl)propanamide (CID 98784032) is 3-amino-N-methyl-N-(4-propoxyphenyl)propanamide.
What is the SMILES notation for 3-amino-N-methyl-N-(4-propoxyphenyl)propanamide?
The canonical SMILES for 3-amino-N-methyl-N-(4-propoxyphenyl)propanamide is CCCOc1ccc(N(C)C(=O)CCN)cc1.
What is the InChIKey of 3-amino-N-methyl-N-(4-propoxyphenyl)propanamide?
The InChIKey is ALRHHPFTWWOISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-10-17-12-6-4-11(5-7-12)15(2)13(16)8-9-14/h4-7H,3,8-10,14H2,1-2H3.
What are the key properties of 3-amino-N-methyl-N-(4-propoxyphenyl)propanamide?
3-amino-N-methyl-N-(4-propoxyphenyl)propanamide has a molecular weight of 236.31 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-(4-propoxyphenyl)propanamide is sourced from PubChem (CID 98784032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).