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

C14H22N2O2 — CID 43369471

IUPACN-[3-(2-aminoethoxy)phenyl]-2-methylpentanamide
SMILESCCCC(C)C(=O)Nc1cccc(OCCN)c1
InChIInChI=1S/C14H22N2O2/c1-3-5-11(2)14(17)16-12-6-4-7-13(10-12)18-9-8-15/h4,6-7,10-11H,3,5,8-9,15H2,1-2H3,(H,16,17)
InChIKeyMBBGNGHXNSBGEC-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.40
Rot. Bonds7

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

N-[3-(2-aminoethoxy)phenyl]-2-methylpentanamide (PubChem CID 43369471) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-[3-(2-aminoethoxy)phenyl]-2-methylpentanamide.

Molecular Properties

Compound NameN-[3-(2-aminoethoxy)phenyl]-2-methylpentanamide
PubChem CID43369471
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-[3-(2-aminoethoxy)phenyl]-2-methylpentanamide
SMILESCCCC(C)C(=O)Nc1cccc(OCCN)c1
InChIInChI=1S/C14H22N2O2/c1-3-5-11(2)14(17)16-12-6-4-7-13(10-12)18-9-8-15/h4,6-7,10-11H,3,5,8-9,15H2,1-2H3,(H,16,17)
InChIKeyMBBGNGHXNSBGEC-UHFFFAOYSA-N
XLogP2.40
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(2-aminoethoxy)phenyl]-2-propylpentanamide
CID 82984960
methyl 2-[3-(2-methylpentanoylamino)phenoxy]acetate
CID 60750976
3-amino-N-[3-(3-cyanopropoxy)phenyl]-2-methylpropanamide
CID 62670693
(2R)-N-(3-aminophenyl)-2-methylpentanamide
CID 40788841
(2S)-N-(3-aminophenyl)-2-methylpentanamide
CID 40788842
N-[2-(2-aminoethoxy)phenyl]-2-methylpentanamide
CID 43369579
(2R)-2-amino-N-[3-(2-fluoroethoxy)phenyl]propanamide
CID 119337996
(2S)-2-amino-N-[3-(2-methylpropoxy)phenyl]pentanamide
CID 93360101
3-[3-(2-aminoethoxy)phenyl]-1,1-dimethylurea
CID 79154063
3-amino-N-[3-(3-methylbutoxy)phenyl]propanamide
CID 39353480
ethyl 3-[[(2S)-2-methylpentanoyl]amino]benzoate
CID 670808
2-[3-(2-methylbutanoylamino)phenoxy]acetic acid
CID 17342096

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoethoxy)phenyl]-2-methylpentanamide?
The IUPAC name of N-[3-(2-aminoethoxy)phenyl]-2-methylpentanamide (CID 43369471) is N-[3-(2-aminoethoxy)phenyl]-2-methylpentanamide.
What is the SMILES notation for N-[3-(2-aminoethoxy)phenyl]-2-methylpentanamide?
The canonical SMILES for N-[3-(2-aminoethoxy)phenyl]-2-methylpentanamide is CCCC(C)C(=O)Nc1cccc(OCCN)c1.
What is the InChIKey of N-[3-(2-aminoethoxy)phenyl]-2-methylpentanamide?
The InChIKey is MBBGNGHXNSBGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-5-11(2)14(17)16-12-6-4-7-13(10-12)18-9-8-15/h4,6-7,10-11H,3,5,8-9,15H2,1-2H3,(H,16,17).
What are the key properties of N-[3-(2-aminoethoxy)phenyl]-2-methylpentanamide?
N-[3-(2-aminoethoxy)phenyl]-2-methylpentanamide has a molecular weight of 250.34 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminoethoxy)phenyl]-2-methylpentanamide is sourced from PubChem (CID 43369471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).