N-[3-(2-aminoethoxy)phenyl]-N-methylbutanamide

C13H20N2O2 — CID 28755982

IUPACN-[3-(2-aminoethoxy)phenyl]-N-methylbutanamide
SMILESCCCC(=O)N(C)c1cccc(OCCN)c1
InChIInChI=1S/C13H20N2O2/c1-3-5-13(16)15(2)11-6-4-7-12(10-11)17-9-8-14/h4,6-7,10H,3,5,8-9,14H2,1-2H3
InChIKeyDNKUAJTUYFTNBJ-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.79
Rot. Bonds6

About N-[3-(2-aminoethoxy)phenyl]-N-methylbutanamide

N-[3-(2-aminoethoxy)phenyl]-N-methylbutanamide (PubChem CID 28755982) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-[3-(2-aminoethoxy)phenyl]-N-methylbutanamide.

Molecular Properties

Compound NameN-[3-(2-aminoethoxy)phenyl]-N-methylbutanamide
PubChem CID28755982
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-[3-(2-aminoethoxy)phenyl]-N-methylbutanamide
SMILESCCCC(=O)N(C)c1cccc(OCCN)c1
InChIInChI=1S/C13H20N2O2/c1-3-5-13(16)15(2)11-6-4-7-12(10-11)17-9-8-14/h4,6-7,10H,3,5,8-9,14H2,1-2H3
InChIKeyDNKUAJTUYFTNBJ-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

3-amino-N-methyl-N-(4-propoxyphenyl)propanamide
CID 98784032
ethyl 3-[3-(diethylamino)phenoxy]propanoate
CID 43517017
ethane;N-(3-ethylphenyl)-N-methylbutanamide
CID 143587868
N-(4-aminophenyl)-N-methyl-3-(3-methylphenoxy)propanamide
CID 28894175
N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide
CID 60676013
N,N,N'-trimethyl-N'-[3-(2-morpholin-4-ylethoxy)phenyl]butanediamide
CID 23557227
N-methyl-N-(3-nitrophenyl)butanamide
CID 12033690
N-(3-aminophenyl)-N-methyl-3-propoxybenzamide
CID 62918808
3-amino-N-methyl-N-(3-propan-2-ylphenyl)propanamide
CID 119305753
3-[3-(2-aminoethoxy)phenyl]-1,1-dimethylurea
CID 79154063
ethyl 4-[3-(dimethylamino)phenoxy]-2-(methylamino)butanoate
CID 63040178
2-hydroxy-N-(3-methoxyphenyl)-N-methylacetamide
CID 70581132

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoethoxy)phenyl]-N-methylbutanamide?
The IUPAC name of N-[3-(2-aminoethoxy)phenyl]-N-methylbutanamide (CID 28755982) is N-[3-(2-aminoethoxy)phenyl]-N-methylbutanamide.
What is the SMILES notation for N-[3-(2-aminoethoxy)phenyl]-N-methylbutanamide?
The canonical SMILES for N-[3-(2-aminoethoxy)phenyl]-N-methylbutanamide is CCCC(=O)N(C)c1cccc(OCCN)c1.
What is the InChIKey of N-[3-(2-aminoethoxy)phenyl]-N-methylbutanamide?
The InChIKey is DNKUAJTUYFTNBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-5-13(16)15(2)11-6-4-7-12(10-11)17-9-8-14/h4,6-7,10H,3,5,8-9,14H2,1-2H3.
What are the key properties of N-[3-(2-aminoethoxy)phenyl]-N-methylbutanamide?
N-[3-(2-aminoethoxy)phenyl]-N-methylbutanamide 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 N-[3-(2-aminoethoxy)phenyl]-N-methylbutanamide is sourced from PubChem (CID 28755982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).