2-(2-aminoethyl)-N-(2-methoxyphenyl)-3-methylbutanamide

C14H22N2O2 — CID 112516204

IUPAC2-(2-aminoethyl)-N-(2-methoxyphenyl)-3-methylbutanamide
SMILESCOc1ccccc1NC(=O)C(CCN)C(C)C
InChIInChI=1S/C14H22N2O2/c1-10(2)11(8-9-15)14(17)16-12-6-4-5-7-13(12)18-3/h4-7,10-11H,8-9,15H2,1-3H3,(H,16,17)
InChIKeyVRUZNBBFSCDFGV-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.25
Rot. Bonds6

About 2-(2-aminoethyl)-N-(2-methoxyphenyl)-3-methylbutanamide

2-(2-aminoethyl)-N-(2-methoxyphenyl)-3-methylbutanamide (PubChem CID 112516204) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-(2-methoxyphenyl)-3-methylbutanamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-(2-methoxyphenyl)-3-methylbutanamide
PubChem CID112516204
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-(2-aminoethyl)-N-(2-methoxyphenyl)-3-methylbutanamide
SMILESCOc1ccccc1NC(=O)C(CCN)C(C)C
InChIInChI=1S/C14H22N2O2/c1-10(2)11(8-9-15)14(17)16-12-6-4-5-7-13(12)18-3/h4-7,10-11H,8-9,15H2,1-3H3,(H,16,17)
InChIKeyVRUZNBBFSCDFGV-UHFFFAOYSA-N
XLogP2.25
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-aminobutan-2-yl)-3-(2-methoxyphenyl)-1-methylurea
CID 63225235
2-(2-aminoethylsulfanyl)-N-(2-methoxyphenyl)propanamide
CID 82179913
2-(2-aminoethyl)-N-(3-methoxyphenyl)-3-methylbutanamide
CID 112516205
(2R)-2-chloro-N-(2-methoxyphenyl)propanamide
CID 2490730
(2R)-2-bromo-N-(2-methoxyphenyl)propanamide
CID 737002
N-(2-methoxyphenyl)-2-propylpentanamide
CID 2995533
(2S)-N-(2-methoxyphenyl)-3-methyl-2-methylsulfanylbutanamide
CID 97234739
2-(carbamoylamino)-N-(2-methoxyphenyl)propanamide
CID 47097666
1-(2-methoxyphenyl)-3-propan-2-ylurea
CID 19167870
1-(3-amino-2-methylpropyl)-3-(2-methoxyphenyl)urea
CID 55102521
1-(3-aminopropyl)-3-(2-methoxyphenyl)urea
CID 62267554
1-(4-hydroxybutan-2-yl)-3-(2-methoxyphenyl)urea
CID 78998444

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-(2-methoxyphenyl)-3-methylbutanamide?
The IUPAC name of 2-(2-aminoethyl)-N-(2-methoxyphenyl)-3-methylbutanamide (CID 112516204) is 2-(2-aminoethyl)-N-(2-methoxyphenyl)-3-methylbutanamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-(2-methoxyphenyl)-3-methylbutanamide?
The canonical SMILES for 2-(2-aminoethyl)-N-(2-methoxyphenyl)-3-methylbutanamide is COc1ccccc1NC(=O)C(CCN)C(C)C.
What is the InChIKey of 2-(2-aminoethyl)-N-(2-methoxyphenyl)-3-methylbutanamide?
The InChIKey is VRUZNBBFSCDFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10(2)11(8-9-15)14(17)16-12-6-4-5-7-13(12)18-3/h4-7,10-11H,8-9,15H2,1-3H3,(H,16,17).
What are the key properties of 2-(2-aminoethyl)-N-(2-methoxyphenyl)-3-methylbutanamide?
2-(2-aminoethyl)-N-(2-methoxyphenyl)-3-methylbutanamide has a molecular weight of 250.34 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-(2-methoxyphenyl)-3-methylbutanamide is sourced from PubChem (CID 112516204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).