3-amino-N-(3-methoxyphenyl)-3-methylbutanamide

C12H18N2O2 — CID 64683747

IUPAC3-amino-N-(3-methoxyphenyl)-3-methylbutanamide
SMILESCOc1cccc(NC(=O)CC(C)(C)N)c1
InChIInChI=1S/C12H18N2O2/c1-12(2,13)8-11(15)14-9-5-4-6-10(7-9)16-3/h4-7H,8,13H2,1-3H3,(H,14,15)
InChIKeyGEXPNCRFQGHRAD-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.76
Rot. Bonds4

About 3-amino-N-(3-methoxyphenyl)-3-methylbutanamide

3-amino-N-(3-methoxyphenyl)-3-methylbutanamide (PubChem CID 64683747) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-amino-N-(3-methoxyphenyl)-3-methylbutanamide.

Molecular Properties

Compound Name3-amino-N-(3-methoxyphenyl)-3-methylbutanamide
PubChem CID64683747
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name3-amino-N-(3-methoxyphenyl)-3-methylbutanamide
SMILESCOc1cccc(NC(=O)CC(C)(C)N)c1
InChIInChI=1S/C12H18N2O2/c1-12(2,13)8-11(15)14-9-5-4-6-10(7-9)16-3/h4-7H,8,13H2,1-3H3,(H,14,15)
InChIKeyGEXPNCRFQGHRAD-UHFFFAOYSA-N
XLogP1.76
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-3-methyl-N-[3-(2-methylpropoxy)phenyl]butanamide
CID 64684468
methyl 3-[(3-amino-3-methylbutanoyl)amino]benzoate
CID 64679224
3-[(3-amino-3-methylbutanoyl)amino]benzoic acid
CID 64677151
3-amino-N-(3,4-dimethoxyphenyl)-3-methylbutanamide
CID 64684929
2-(hydroxyamino)-N-(3-methoxyphenyl)acetamide
CID 12611733
2-amino-2-ethyl-N-(3-methoxyphenyl)butanamide
CID 79809500
2-(2-amino-2-methylbutoxy)-N-(3-methoxyphenyl)acetamide
CID 64571888
cobalt(2+);bis(2-(3-methoxyanilino)-2-oxoethanethiolate)
CID 6100941
3-chloro-N-(3-methoxyphenyl)propanamide
CID 2785756
2-(3-methoxyphenoxy)-N-(3-methoxyphenyl)acetamide
CID 19204025
4-amino-N-(3-methoxyphenyl)-4-sulfanylidenebutanamide
CID 94264248
3-[[2-(3-methoxyanilino)acetyl]amino]benzamide
CID 54814576

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-methoxyphenyl)-3-methylbutanamide?
The IUPAC name of 3-amino-N-(3-methoxyphenyl)-3-methylbutanamide (CID 64683747) is 3-amino-N-(3-methoxyphenyl)-3-methylbutanamide.
What is the SMILES notation for 3-amino-N-(3-methoxyphenyl)-3-methylbutanamide?
The canonical SMILES for 3-amino-N-(3-methoxyphenyl)-3-methylbutanamide is COc1cccc(NC(=O)CC(C)(C)N)c1.
What is the InChIKey of 3-amino-N-(3-methoxyphenyl)-3-methylbutanamide?
The InChIKey is GEXPNCRFQGHRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-12(2,13)8-11(15)14-9-5-4-6-10(7-9)16-3/h4-7H,8,13H2,1-3H3,(H,14,15).
What are the key properties of 3-amino-N-(3-methoxyphenyl)-3-methylbutanamide?
3-amino-N-(3-methoxyphenyl)-3-methylbutanamide has a molecular weight of 222.29 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-methoxyphenyl)-3-methylbutanamide is sourced from PubChem (CID 64683747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).