2-amino-N-[2-(3-methoxyphenyl)ethyl]-2-methylbutanamide

C14H22N2O2 — CID 107842874

IUPAC2-amino-N-[2-(3-methoxyphenyl)ethyl]-2-methylbutanamide
SMILESCCC(C)(N)C(=O)NCCc1cccc(OC)c1
InChIInChI=1S/C14H22N2O2/c1-4-14(2,15)13(17)16-9-8-11-6-5-7-12(10-11)18-3/h5-7,10H,4,8-9,15H2,1-3H3,(H,16,17)
InChIKeyLUBOZKFDGCNGPQ-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.48
Rot. Bonds6

About 2-amino-N-[2-(3-methoxyphenyl)ethyl]-2-methylbutanamide

2-amino-N-[2-(3-methoxyphenyl)ethyl]-2-methylbutanamide (PubChem CID 107842874) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-amino-N-[2-(3-methoxyphenyl)ethyl]-2-methylbutanamide.

Molecular Properties

Compound Name2-amino-N-[2-(3-methoxyphenyl)ethyl]-2-methylbutanamide
PubChem CID107842874
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-amino-N-[2-(3-methoxyphenyl)ethyl]-2-methylbutanamide
SMILESCCC(C)(N)C(=O)NCCc1cccc(OC)c1
InChIInChI=1S/C14H22N2O2/c1-4-14(2,15)13(17)16-9-8-11-6-5-7-12(10-11)18-3/h5-7,10H,4,8-9,15H2,1-3H3,(H,16,17)
InChIKeyLUBOZKFDGCNGPQ-UHFFFAOYSA-N
XLogP1.48
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 ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-carbamothioyl-N-[2-(3-methoxyphenyl)ethyl]-2-methylbutanamide
CID 107854485
2-amino-2-methyl-N-(2-phenylethyl)butanamide
CID 73062281
2-cyano-2-ethyl-N-[2-(3-methoxyphenyl)ethyl]butanamide
CID 107853084
(3-methoxyphenyl)methyl 2-amino-2-methylbutanoate
CID 79798508
2-amino-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 22690352
N-[2-(3-methoxyphenyl)ethyl]-2-oxopropanamide
CID 110478240
N-cycloheptyl-N'-[2-(3-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide
CID 108964347
1-amino-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119711038
2-hydroxy-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 94681482
1-[2-(3-methoxyphenyl)ethyl]-3-(2,4,4-trimethylpentan-2-yl)urea
CID 108900991
5-[2-(3-methoxyphenyl)ethylamino]-3,3-dimethyl-5-oxopentanoic acid
CID 106703116
3-[2-(3-methoxyphenyl)ethylcarbamoylamino]-2,2-dimethylpropanoic acid
CID 107843109

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(3-methoxyphenyl)ethyl]-2-methylbutanamide?
The IUPAC name of 2-amino-N-[2-(3-methoxyphenyl)ethyl]-2-methylbutanamide (CID 107842874) is 2-amino-N-[2-(3-methoxyphenyl)ethyl]-2-methylbutanamide.
What is the SMILES notation for 2-amino-N-[2-(3-methoxyphenyl)ethyl]-2-methylbutanamide?
The canonical SMILES for 2-amino-N-[2-(3-methoxyphenyl)ethyl]-2-methylbutanamide is CCC(C)(N)C(=O)NCCc1cccc(OC)c1.
What is the InChIKey of 2-amino-N-[2-(3-methoxyphenyl)ethyl]-2-methylbutanamide?
The InChIKey is LUBOZKFDGCNGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-14(2,15)13(17)16-9-8-11-6-5-7-12(10-11)18-3/h5-7,10H,4,8-9,15H2,1-3H3,(H,16,17).
What are the key properties of 2-amino-N-[2-(3-methoxyphenyl)ethyl]-2-methylbutanamide?
2-amino-N-[2-(3-methoxyphenyl)ethyl]-2-methylbutanamide has a molecular weight of 250.34 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(3-methoxyphenyl)ethyl]-2-methylbutanamide is sourced from PubChem (CID 107842874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).