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

C14H22N2O2 — CID 43369579

IUPACN-[2-(2-aminoethoxy)phenyl]-2-methylpentanamide
SMILESCCCC(C)C(=O)Nc1ccccc1OCCN
InChIInChI=1S/C14H22N2O2/c1-3-6-11(2)14(17)16-12-7-4-5-8-13(12)18-10-9-15/h4-5,7-8,11H,3,6,9-10,15H2,1-2H3,(H,16,17)
InChIKeyWFVXMDRGSBHYDM-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.40
Rot. Bonds7

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

N-[2-(2-aminoethoxy)phenyl]-2-methylpentanamide (PubChem CID 43369579) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-[2-(2-aminoethoxy)phenyl]-2-methylpentanamide.

Molecular Properties

Compound NameN-[2-(2-aminoethoxy)phenyl]-2-methylpentanamide
PubChem CID43369579
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-[2-(2-aminoethoxy)phenyl]-2-methylpentanamide
SMILESCCCC(C)C(=O)Nc1ccccc1OCCN
InChIInChI=1S/C14H22N2O2/c1-3-6-11(2)14(17)16-12-7-4-5-8-13(12)18-10-9-15/h4-5,7-8,11H,3,6,9-10,15H2,1-2H3,(H,16,17)
InChIKeyWFVXMDRGSBHYDM-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

2-[2-(2-methylpentanoylamino)phenoxy]acetic acid
CID 63745685
N-[2-(2-aminoethoxy)phenyl]-2-ethylbutanamide
CID 43369538
2-amino-N-(2-propoxyphenyl)pentanamide
CID 43702443
N-[3-(2-aminoethoxy)phenyl]-2-methylpentanamide
CID 43369471
4-amino-2-methyl-N-(2-phenoxyphenyl)butanamide
CID 80541383
1-[2-(2-aminoethoxy)phenyl]-3-(2-fluorophenyl)urea
CID 43175667
N-[2-(bromomethyl)phenyl]-2-methylpentanamide
CID 114309617
1,3-bis(2-butoxyphenyl)urea
CID 17170447
3-amino-N-(2-propoxyphenyl)propanamide;hydrochloride
CID 119268305
tert-butyl N-[2-(2-aminoethoxy)phenyl]carbamate
CID 22620024
methyl 2-(2-methylpentanoylamino)benzoate
CID 2904418
2-methyl-N-naphthalen-1-ylpentanamide
CID 112762783

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethoxy)phenyl]-2-methylpentanamide?
The IUPAC name of N-[2-(2-aminoethoxy)phenyl]-2-methylpentanamide (CID 43369579) is N-[2-(2-aminoethoxy)phenyl]-2-methylpentanamide.
What is the SMILES notation for N-[2-(2-aminoethoxy)phenyl]-2-methylpentanamide?
The canonical SMILES for N-[2-(2-aminoethoxy)phenyl]-2-methylpentanamide is CCCC(C)C(=O)Nc1ccccc1OCCN.
What is the InChIKey of N-[2-(2-aminoethoxy)phenyl]-2-methylpentanamide?
The InChIKey is WFVXMDRGSBHYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-6-11(2)14(17)16-12-7-4-5-8-13(12)18-10-9-15/h4-5,7-8,11H,3,6,9-10,15H2,1-2H3,(H,16,17).
What are the key properties of N-[2-(2-aminoethoxy)phenyl]-2-methylpentanamide?
N-[2-(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-[2-(2-aminoethoxy)phenyl]-2-methylpentanamide is sourced from PubChem (CID 43369579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).