3-amino-N-[(2-methoxy-5-methylphenyl)methyl]-3-methylbutanamide

C14H22N2O2 — CID 115154960

IUPAC3-amino-N-[(2-methoxy-5-methylphenyl)methyl]-3-methylbutanamide
SMILESCOc1ccc(C)cc1CNC(=O)CC(C)(C)N
InChIInChI=1S/C14H22N2O2/c1-10-5-6-12(18-4)11(7-10)9-16-13(17)8-14(2,3)15/h5-7H,8-9,15H2,1-4H3,(H,16,17)
InChIKeyZELHRLVVHWJOMB-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.75
Rot. Bonds5

About 3-amino-N-[(2-methoxy-5-methylphenyl)methyl]-3-methylbutanamide

3-amino-N-[(2-methoxy-5-methylphenyl)methyl]-3-methylbutanamide (PubChem CID 115154960) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-amino-N-[(2-methoxy-5-methylphenyl)methyl]-3-methylbutanamide.

Molecular Properties

Compound Name3-amino-N-[(2-methoxy-5-methylphenyl)methyl]-3-methylbutanamide
PubChem CID115154960
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-amino-N-[(2-methoxy-5-methylphenyl)methyl]-3-methylbutanamide
SMILESCOc1ccc(C)cc1CNC(=O)CC(C)(C)N
InChIInChI=1S/C14H22N2O2/c1-10-5-6-12(18-4)11(7-10)9-16-13(17)8-14(2,3)15/h5-7H,8-9,15H2,1-4H3,(H,16,17)
InChIKeyZELHRLVVHWJOMB-UHFFFAOYSA-N
XLogP1.75
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-(2-methoxy-5-methylphenyl)-4-methylpentan-2-one
CID 116581195
3-[(2-methoxy-5-methylphenyl)methylamino]-3-oxopropanoic acid
CID 115163375
2-chloro-N-[(2-methoxy-5-methylphenyl)methyl]acetamide
CID 82128305
3-hydroxy-N-[(2-methoxy-5-methylphenyl)methyl]propanamide
CID 115138980
N-[(2-methoxy-5-methylphenyl)methyl]acetamide
CID 110779845
N-[(2-methoxy-5-methylphenyl)methyl]-3-sulfanylpropanamide
CID 115167821
N-(1-amino-2-methylpropan-2-yl)-2-(2-methoxy-5-methylphenyl)acetamide
CID 110832873
4-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]-4-methylpentanamide
CID 115157575
2-(2-methoxy-5-methylphenyl)-N-[(2-methylphenyl)methyl]acetamide
CID 9184395
N-[(5-bromo-2-methoxyphenyl)methyl]-3,3-dimethylbutanamide
CID 49172929
3-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]-3-methylbutanoic acid
CID 64670700
2-(2-methoxy-5-methylphenyl)-N-methylacetamide
CID 39969431

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2-methoxy-5-methylphenyl)methyl]-3-methylbutanamide?
The IUPAC name of 3-amino-N-[(2-methoxy-5-methylphenyl)methyl]-3-methylbutanamide (CID 115154960) is 3-amino-N-[(2-methoxy-5-methylphenyl)methyl]-3-methylbutanamide.
What is the SMILES notation for 3-amino-N-[(2-methoxy-5-methylphenyl)methyl]-3-methylbutanamide?
The canonical SMILES for 3-amino-N-[(2-methoxy-5-methylphenyl)methyl]-3-methylbutanamide is COc1ccc(C)cc1CNC(=O)CC(C)(C)N.
What is the InChIKey of 3-amino-N-[(2-methoxy-5-methylphenyl)methyl]-3-methylbutanamide?
The InChIKey is ZELHRLVVHWJOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10-5-6-12(18-4)11(7-10)9-16-13(17)8-14(2,3)15/h5-7H,8-9,15H2,1-4H3,(H,16,17).
What are the key properties of 3-amino-N-[(2-methoxy-5-methylphenyl)methyl]-3-methylbutanamide?
3-amino-N-[(2-methoxy-5-methylphenyl)methyl]-3-methylbutanamide has a molecular weight of 250.34 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2-methoxy-5-methylphenyl)methyl]-3-methylbutanamide is sourced from PubChem (CID 115154960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).