2-(butan-2-ylamino)-2-(2-chloro-3,4-dimethoxyphenyl)acetamide

C14H21ClN2O3 — CID 63632739

IUPAC2-(butan-2-ylamino)-2-(2-chloro-3,4-dimethoxyphenyl)acetamide
SMILESCCC(C)NC(C(N)=O)c1ccc(OC)c(OC)c1Cl
InChIInChI=1S/C14H21ClN2O3/c1-5-8(2)17-12(14(16)18)9-6-7-10(19-3)13(20-4)11(9)15/h6-8,12,17H,5H2,1-4H3,(H2,16,18)
InChIKeyLVLQEVWDRIQJFI-UHFFFAOYSA-N
MW300.79 g/mol
LogP2.27
Rot. Bonds7

About 2-(butan-2-ylamino)-2-(2-chloro-3,4-dimethoxyphenyl)acetamide

2-(butan-2-ylamino)-2-(2-chloro-3,4-dimethoxyphenyl)acetamide (PubChem CID 63632739) has the molecular formula C14H21ClN2O3 and a molecular weight of 300.79 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-2-(2-chloro-3,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(butan-2-ylamino)-2-(2-chloro-3,4-dimethoxyphenyl)acetamide
PubChem CID63632739
Molecular FormulaC14H21ClN2O3
Molecular Weight300.79 g/mol
Exact Mass300.12
IUPAC Name2-(butan-2-ylamino)-2-(2-chloro-3,4-dimethoxyphenyl)acetamide
SMILESCCC(C)NC(C(N)=O)c1ccc(OC)c(OC)c1Cl
InChIInChI=1S/C14H21ClN2O3/c1-5-8(2)17-12(14(16)18)9-6-7-10(19-3)13(20-4)11(9)15/h6-8,12,17H,5H2,1-4H3,(H2,16,18)
InChIKeyLVLQEVWDRIQJFI-UHFFFAOYSA-N
XLogP2.27
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(butan-2-ylamino)-2-(2-methoxyphenyl)acetamide
CID 54907954
2-(butan-2-ylamino)-2-(3-chloro-4-methoxyphenyl)acetamide
CID 65026746
methyl 2-(butan-2-ylamino)-2-(3,4-dimethoxyphenyl)acetate
CID 61024813
2-(butan-2-ylamino)-2-(4-hydroxy-3-methoxyphenyl)acetamide
CID 54908186
ethyl 2-(2-chloro-3,4-dimethoxyphenyl)-2-(cyclopropylamino)acetate
CID 63632576
(1R,2S)-1-amino-1-(2-chloro-3,4-dimethoxyphenyl)-3-methylpentan-2-ol;hydrochloride
CID 171261628
ethyl 2-(butan-2-ylamino)-2-(3,4-dimethoxyphenyl)acetate
CID 61023762
methyl 4-amino-3-(2-chloro-3,4-dimethoxyphenyl)butanoate
CID 66098501
3-[[2-amino-1-(2-chloro-3,4-dimethoxyphenyl)ethyl]amino]butan-1-ol
CID 83176914
methyl (2S)-2-amino-2-(2-chloro-3,4-dimethoxyphenyl)acetate;hydrochloride
CID 171202030
2-[(2-chloro-3,4-dimethoxyphenyl)methylamino]propanamide
CID 63627273
(3R)-3-amino-3-(2-chloro-3,4-dimethoxyphenyl)propanoic acid
CID 63632709

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-2-(2-chloro-3,4-dimethoxyphenyl)acetamide?
The IUPAC name of 2-(butan-2-ylamino)-2-(2-chloro-3,4-dimethoxyphenyl)acetamide (CID 63632739) is 2-(butan-2-ylamino)-2-(2-chloro-3,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-(butan-2-ylamino)-2-(2-chloro-3,4-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-(butan-2-ylamino)-2-(2-chloro-3,4-dimethoxyphenyl)acetamide is CCC(C)NC(C(N)=O)c1ccc(OC)c(OC)c1Cl.
What is the InChIKey of 2-(butan-2-ylamino)-2-(2-chloro-3,4-dimethoxyphenyl)acetamide?
The InChIKey is LVLQEVWDRIQJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3/c1-5-8(2)17-12(14(16)18)9-6-7-10(19-3)13(20-4)11(9)15/h6-8,12,17H,5H2,1-4H3,(H2,16,18).
What are the key properties of 2-(butan-2-ylamino)-2-(2-chloro-3,4-dimethoxyphenyl)acetamide?
2-(butan-2-ylamino)-2-(2-chloro-3,4-dimethoxyphenyl)acetamide has a molecular weight of 300.79 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-2-(2-chloro-3,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 63632739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).