2-(butan-2-ylamino)-2-(3-chloro-4-methoxyphenyl)acetamide

C13H19ClN2O2 — CID 65026746

IUPAC2-(butan-2-ylamino)-2-(3-chloro-4-methoxyphenyl)acetamide
SMILESCCC(C)NC(C(N)=O)c1ccc(OC)c(Cl)c1
InChIInChI=1S/C13H19ClN2O2/c1-4-8(2)16-12(13(15)17)9-5-6-11(18-3)10(14)7-9/h5-8,12,16H,4H2,1-3H3,(H2,15,17)
InChIKeyNGFNCWVUZCLBDJ-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.26
Rot. Bonds6

About 2-(butan-2-ylamino)-2-(3-chloro-4-methoxyphenyl)acetamide

2-(butan-2-ylamino)-2-(3-chloro-4-methoxyphenyl)acetamide (PubChem CID 65026746) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-2-(3-chloro-4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(butan-2-ylamino)-2-(3-chloro-4-methoxyphenyl)acetamide
PubChem CID65026746
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name2-(butan-2-ylamino)-2-(3-chloro-4-methoxyphenyl)acetamide
SMILESCCC(C)NC(C(N)=O)c1ccc(OC)c(Cl)c1
InChIInChI=1S/C13H19ClN2O2/c1-4-8(2)16-12(13(15)17)9-5-6-11(18-3)10(14)7-9/h5-8,12,16H,4H2,1-3H3,(H2,15,17)
InChIKeyNGFNCWVUZCLBDJ-UHFFFAOYSA-N
XLogP2.26
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(butan-2-ylamino)-2-(4-hydroxy-3-methoxyphenyl)acetamide
CID 54908186
methyl 2-(butan-2-ylamino)-2-(3,4-dimethoxyphenyl)acetate
CID 61024813
ethyl 2-(butan-2-ylamino)-2-(3,4-dimethoxyphenyl)acetate
CID 61023762
2-(butan-2-ylamino)-2-(2-chloro-3,4-dimethoxyphenyl)acetamide
CID 63632739
2-(3-chloro-4-methoxyphenyl)-2-(2-methoxyethylamino)acetamide
CID 65026801
2-anilino-2-(3-chloro-4-methoxyphenyl)acetamide
CID 65026961
ethyl 2-(butan-2-ylamino)-2-(3,4-dichlorophenyl)acetate
CID 54908339
2-(butan-2-ylamino)-2-(2-methoxyphenyl)acetamide
CID 54907954
methyl 2-(3-bromo-4-chlorophenyl)-2-(butan-2-ylamino)acetate
CID 83230709
2-(4-methoxy-3-methylphenyl)-2-(propan-2-ylamino)acetamide
CID 55039856
2-(3-chloroanilino)-2-(3-chloro-4-methoxyphenyl)acetamide
CID 65027018
methyl 2-(butan-2-ylamino)-2-(4-chlorophenyl)acetate
CID 54908422

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-2-(3-chloro-4-methoxyphenyl)acetamide?
The IUPAC name of 2-(butan-2-ylamino)-2-(3-chloro-4-methoxyphenyl)acetamide (CID 65026746) is 2-(butan-2-ylamino)-2-(3-chloro-4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(butan-2-ylamino)-2-(3-chloro-4-methoxyphenyl)acetamide?
The canonical SMILES for 2-(butan-2-ylamino)-2-(3-chloro-4-methoxyphenyl)acetamide is CCC(C)NC(C(N)=O)c1ccc(OC)c(Cl)c1.
What is the InChIKey of 2-(butan-2-ylamino)-2-(3-chloro-4-methoxyphenyl)acetamide?
The InChIKey is NGFNCWVUZCLBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-4-8(2)16-12(13(15)17)9-5-6-11(18-3)10(14)7-9/h5-8,12,16H,4H2,1-3H3,(H2,15,17).
What are the key properties of 2-(butan-2-ylamino)-2-(3-chloro-4-methoxyphenyl)acetamide?
2-(butan-2-ylamino)-2-(3-chloro-4-methoxyphenyl)acetamide has a molecular weight of 270.76 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-2-(3-chloro-4-methoxyphenyl)acetamide is sourced from PubChem (CID 65026746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).