2-[[2-(4-butan-2-ylphenoxy)acetyl]amino]-N,N-dimethylbenzamide

C21H26N2O3 — CID 4959325

IUPAC2-[[2-(4-butan-2-ylphenoxy)acetyl]amino]-N,N-dimethylbenzamide
SMILESCCC(C)c1ccc(OCC(=O)Nc2ccccc2C(=O)N(C)C)cc1
InChIInChI=1S/C21H26N2O3/c1-5-15(2)16-10-12-17(13-11-16)26-14-20(24)22-19-9-7-6-8-18(19)21(25)23(3)4/h6-13,15H,5,14H2,1-4H3,(H,22,24)
InChIKeyALGHOHIULNNGKB-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.92
Rot. Bonds7

About 2-[[2-(4-butan-2-ylphenoxy)acetyl]amino]-N,N-dimethylbenzamide

2-[[2-(4-butan-2-ylphenoxy)acetyl]amino]-N,N-dimethylbenzamide (PubChem CID 4959325) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-[[2-(4-butan-2-ylphenoxy)acetyl]amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name2-[[2-(4-butan-2-ylphenoxy)acetyl]amino]-N,N-dimethylbenzamide
PubChem CID4959325
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name2-[[2-(4-butan-2-ylphenoxy)acetyl]amino]-N,N-dimethylbenzamide
SMILESCCC(C)c1ccc(OCC(=O)Nc2ccccc2C(=O)N(C)C)cc1
InChIInChI=1S/C21H26N2O3/c1-5-15(2)16-10-12-17(13-11-16)26-14-20(24)22-19-9-7-6-8-18(19)21(25)23(3)4/h6-13,15H,5,14H2,1-4H3,(H,22,24)
InChIKeyALGHOHIULNNGKB-UHFFFAOYSA-N
XLogP3.92
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(4-bromophenoxy)acetyl]amino]-N,N-dimethylbenzamide
CID 4942499
2-[4-[(2R)-butan-2-yl]phenoxy]-N-[2-[(2R)-butan-2-yl]phenyl]acetamide
CID 918611
N-(2-bromophenyl)-2-[4-[(2S)-butan-2-yl]phenoxy]acetamide
CID 40666712
2-[4-[(2R)-butan-2-yl]phenoxy]-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 9319624
2-[4-[(2S)-butan-2-yl]phenoxy]-N-(2-methoxyphenyl)acetamide
CID 7321326
2-[4-[(2S)-butan-2-yl]phenoxy]-N-naphthalen-1-ylacetamide
CID 918616
3-[[2-[4-[(2R)-butan-2-yl]phenoxy]acetyl]amino]-2-methylbenzoic acid
CID 893469
2-[[2-[4-[(2R)-butan-2-yl]phenoxy]acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 9319749
2-[[2-[4-[(2R)-butan-2-yl]phenoxy]acetyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 9319672
ethyl 2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 682452
2-[4-[(2R)-butan-2-yl]phenoxy]-N-[4-(dimethylamino)phenyl]acetamide
CID 918515
2-[4-[(2S)-butan-2-yl]phenoxy]-N-(2,6-diethylphenyl)acetamide
CID 7643309

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-butan-2-ylphenoxy)acetyl]amino]-N,N-dimethylbenzamide?
The IUPAC name of 2-[[2-(4-butan-2-ylphenoxy)acetyl]amino]-N,N-dimethylbenzamide (CID 4959325) is 2-[[2-(4-butan-2-ylphenoxy)acetyl]amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 2-[[2-(4-butan-2-ylphenoxy)acetyl]amino]-N,N-dimethylbenzamide?
The canonical SMILES for 2-[[2-(4-butan-2-ylphenoxy)acetyl]amino]-N,N-dimethylbenzamide is CCC(C)c1ccc(OCC(=O)Nc2ccccc2C(=O)N(C)C)cc1.
What is the InChIKey of 2-[[2-(4-butan-2-ylphenoxy)acetyl]amino]-N,N-dimethylbenzamide?
The InChIKey is ALGHOHIULNNGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-5-15(2)16-10-12-17(13-11-16)26-14-20(24)22-19-9-7-6-8-18(19)21(25)23(3)4/h6-13,15H,5,14H2,1-4H3,(H,22,24).
What are the key properties of 2-[[2-(4-butan-2-ylphenoxy)acetyl]amino]-N,N-dimethylbenzamide?
2-[[2-(4-butan-2-ylphenoxy)acetyl]amino]-N,N-dimethylbenzamide has a molecular weight of 354.45 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-butan-2-ylphenoxy)acetyl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 4959325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).