2-[[(2S)-butan-2-yl]amino]-N-(3-methylphenyl)acetamide

C13H20N2O — CID 2386923

IUPAC2-[[(2S)-butan-2-yl]amino]-N-(3-methylphenyl)acetamide
SMILESCC[C@H](C)NCC(=O)Nc1cccc(C)c1
InChIInChI=1S/C13H20N2O/c1-4-11(3)14-9-13(16)15-12-7-5-6-10(2)8-12/h5-8,11,14H,4,9H2,1-3H3,(H,15,16)/t11-/m0/s1
InChIKeyXRHQVVUGMMWYGW-NSHDSACASA-N
MW220.32 g/mol
LogP2.32
Rot. Bonds5

About 2-[[(2S)-butan-2-yl]amino]-N-(3-methylphenyl)acetamide

2-[[(2S)-butan-2-yl]amino]-N-(3-methylphenyl)acetamide (PubChem CID 2386923) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-[[(2S)-butan-2-yl]amino]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[[(2S)-butan-2-yl]amino]-N-(3-methylphenyl)acetamide
PubChem CID2386923
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-[[(2S)-butan-2-yl]amino]-N-(3-methylphenyl)acetamide
SMILESCC[C@H](C)NCC(=O)Nc1cccc(C)c1
InChIInChI=1S/C13H20N2O/c1-4-11(3)14-9-13(16)15-12-7-5-6-10(2)8-12/h5-8,11,14H,4,9H2,1-3H3,(H,15,16)/t11-/m0/s1
InChIKeyXRHQVVUGMMWYGW-NSHDSACASA-N
XLogP2.32
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methylphenyl)-2-(pentan-2-ylamino)acetamide
CID 43179547
2-(butan-2-ylamino)-N-(3-hydroxyphenyl)acetamide
CID 61166125
2-[[2-(3-methylanilino)-2-oxoethyl]amino]propanoic acid
CID 43467219
N-methyl-2-[[2-(3-methylanilino)-2-oxoethyl]amino]propanamide
CID 54950375
2-(6-methylheptan-2-ylamino)-N-(3-methylphenyl)acetamide
CID 60647450
2-(butan-2-ylamino)-N-(3-methoxyphenyl)acetamide
CID 43179380
2-(butan-2-ylamino)-N-[3-(dimethylamino)phenyl]acetamide
CID 115376908
2-[(4-hydroxy-3-methylbutan-2-yl)amino]-N-(3-methylphenyl)acetamide
CID 104696391
2-(but-3-yn-2-ylamino)-N-(3-methylphenyl)acetamide
CID 114416946
2-(butan-2-ylamino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 60646929
2-(1-cyclopropylethylamino)-N-(3-methylphenyl)acetamide
CID 43401776
N-(4-bromophenyl)-2-(butan-2-ylamino)acetamide
CID 43179384

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-butan-2-yl]amino]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[[(2S)-butan-2-yl]amino]-N-(3-methylphenyl)acetamide (CID 2386923) is 2-[[(2S)-butan-2-yl]amino]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[[(2S)-butan-2-yl]amino]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[[(2S)-butan-2-yl]amino]-N-(3-methylphenyl)acetamide is CC[C@H](C)NCC(=O)Nc1cccc(C)c1.
What is the InChIKey of 2-[[(2S)-butan-2-yl]amino]-N-(3-methylphenyl)acetamide?
The InChIKey is XRHQVVUGMMWYGW-NSHDSACASA-N. The full InChI is InChI=1S/C13H20N2O/c1-4-11(3)14-9-13(16)15-12-7-5-6-10(2)8-12/h5-8,11,14H,4,9H2,1-3H3,(H,15,16)/t11-/m0/s1.
What are the key properties of 2-[[(2S)-butan-2-yl]amino]-N-(3-methylphenyl)acetamide?
2-[[(2S)-butan-2-yl]amino]-N-(3-methylphenyl)acetamide has a molecular weight of 220.32 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-butan-2-yl]amino]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 2386923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).