2-(butan-2-ylamino)-N-[3-(dimethylamino)phenyl]acetamide

C14H23N3O — CID 115376908

IUPAC2-(butan-2-ylamino)-N-[3-(dimethylamino)phenyl]acetamide
SMILESCCC(C)NCC(=O)Nc1cccc(N(C)C)c1
InChIInChI=1S/C14H23N3O/c1-5-11(2)15-10-14(18)16-12-7-6-8-13(9-12)17(3)4/h6-9,11,15H,5,10H2,1-4H3,(H,16,18)
InChIKeyRQEFXCUYLIKUQI-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.08
Rot. Bonds6

About 2-(butan-2-ylamino)-N-[3-(dimethylamino)phenyl]acetamide

2-(butan-2-ylamino)-N-[3-(dimethylamino)phenyl]acetamide (PubChem CID 115376908) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-N-[3-(dimethylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-(butan-2-ylamino)-N-[3-(dimethylamino)phenyl]acetamide
PubChem CID115376908
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-(butan-2-ylamino)-N-[3-(dimethylamino)phenyl]acetamide
SMILESCCC(C)NCC(=O)Nc1cccc(N(C)C)c1
InChIInChI=1S/C14H23N3O/c1-5-11(2)15-10-14(18)16-12-7-6-8-13(9-12)17(3)4/h6-9,11,15H,5,10H2,1-4H3,(H,16,18)
InChIKeyRQEFXCUYLIKUQI-UHFFFAOYSA-N
XLogP2.08
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2S)-butan-2-yl]amino]-N-(3-methylphenyl)acetamide
CID 2386923
2-(butan-2-ylamino)-N-(3-hydroxyphenyl)acetamide
CID 61166125
2-(butan-2-ylamino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 60646929
2-(butan-2-ylamino)-N-(3-methoxyphenyl)acetamide
CID 43179380
2-(butan-2-ylamino)-N-[4-(dimethylamino)-2-methylphenyl]acetamide
CID 60853749
2-(butan-2-ylamino)-N-[3-[2-(dimethylamino)ethoxy]phenyl]acetamide
CID 60852855
[3-(dimethylamino)phenyl]carbamic acid
CID 91129511
N-[3-(dimethylamino)phenyl]-2-(prop-2-ynylamino)acetamide
CID 113297619
2-(butan-2-ylamino)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]acetamide
CID 60852115
ethyl 4-[3-(dimethylamino)anilino]-4-oxobutanoate
CID 78910863
N-(3-methylphenyl)-2-(pentan-2-ylamino)acetamide
CID 43179547
2-(butan-2-ylamino)-N-(2,6-dimethylphenyl)acetamide
CID 21430532

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-N-[3-(dimethylamino)phenyl]acetamide?
The IUPAC name of 2-(butan-2-ylamino)-N-[3-(dimethylamino)phenyl]acetamide (CID 115376908) is 2-(butan-2-ylamino)-N-[3-(dimethylamino)phenyl]acetamide.
What is the SMILES notation for 2-(butan-2-ylamino)-N-[3-(dimethylamino)phenyl]acetamide?
The canonical SMILES for 2-(butan-2-ylamino)-N-[3-(dimethylamino)phenyl]acetamide is CCC(C)NCC(=O)Nc1cccc(N(C)C)c1.
What is the InChIKey of 2-(butan-2-ylamino)-N-[3-(dimethylamino)phenyl]acetamide?
The InChIKey is RQEFXCUYLIKUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-5-11(2)15-10-14(18)16-12-7-6-8-13(9-12)17(3)4/h6-9,11,15H,5,10H2,1-4H3,(H,16,18).
What are the key properties of 2-(butan-2-ylamino)-N-[3-(dimethylamino)phenyl]acetamide?
2-(butan-2-ylamino)-N-[3-(dimethylamino)phenyl]acetamide has a molecular weight of 249.36 g/mol, XLogP of 2.08, 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)-N-[3-(dimethylamino)phenyl]acetamide is sourced from PubChem (CID 115376908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).