2-amino-N-butan-2-yl-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide

C14H21FN2O2 — CID 112517436

IUPAC2-amino-N-butan-2-yl-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide
SMILESCCC(C)N(Cc1ccc(OC)c(F)c1)C(=O)CN
InChIInChI=1S/C14H21FN2O2/c1-4-10(2)17(14(18)8-16)9-11-5-6-13(19-3)12(15)7-11/h5-7,10H,4,8-9,16H2,1-3H3
InChIKeyKKVQEEYIXKXGBC-UHFFFAOYSA-N
MW268.33 g/mol
LogP1.92
Rot. Bonds6

About 2-amino-N-butan-2-yl-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide

2-amino-N-butan-2-yl-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide (PubChem CID 112517436) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is 2-amino-N-butan-2-yl-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-amino-N-butan-2-yl-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide
PubChem CID112517436
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Name2-amino-N-butan-2-yl-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide
SMILESCCC(C)N(Cc1ccc(OC)c(F)c1)C(=O)CN
InChIInChI=1S/C14H21FN2O2/c1-4-10(2)17(14(18)8-16)9-11-5-6-13(19-3)12(15)7-11/h5-7,10H,4,8-9,16H2,1-3H3
InChIKeyKKVQEEYIXKXGBC-UHFFFAOYSA-N
XLogP1.92
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide
CID 60712583
4-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-N,3-dimethylbutanamide
CID 81075378
(2R)-2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]propanamide
CID 8912011
2-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbutanamide
CID 54939409
5-amino-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methylpentanamide
CID 82013913
2-amino-N-butan-2-yl-N-[(4-propan-2-ylphenyl)methyl]acetamide
CID 112501771
ethyl 2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-oxoacetate
CID 115142014
3-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]butan-2-one
CID 62023874
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-oxobutanamide
CID 54867216
ethyl 2-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]propanoate
CID 47368271
ethyl 2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]acetate
CID 60696173
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 82128248

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-butan-2-yl-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-amino-N-butan-2-yl-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide (CID 112517436) is 2-amino-N-butan-2-yl-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-amino-N-butan-2-yl-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-amino-N-butan-2-yl-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide is CCC(C)N(Cc1ccc(OC)c(F)c1)C(=O)CN.
What is the InChIKey of 2-amino-N-butan-2-yl-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide?
The InChIKey is KKVQEEYIXKXGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-4-10(2)17(14(18)8-16)9-11-5-6-13(19-3)12(15)7-11/h5-7,10H,4,8-9,16H2,1-3H3.
What are the key properties of 2-amino-N-butan-2-yl-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide?
2-amino-N-butan-2-yl-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide has a molecular weight of 268.33 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-butan-2-yl-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 112517436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).