N-butan-2-yl-3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzamide

C23H30N2O3 — CID 17198816

IUPACN-butan-2-yl-3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzamide
SMILESCCC(C)NC(=O)c1cccc(NC(=O)COc2cc(C)ccc2C(C)C)c1
InChIInChI=1S/C23H30N2O3/c1-6-17(5)24-23(27)18-8-7-9-19(13-18)25-22(26)14-28-21-12-16(4)10-11-20(21)15(2)3/h7-13,15,17H,6,14H2,1-5H3,(H,24,27)(H,25,26)
InChIKeyNZGRWSZNOUTARF-UHFFFAOYSA-N
MW382.50 g/mol
LogP4.66
Rot. Bonds8

About N-butan-2-yl-3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzamide

N-butan-2-yl-3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzamide (PubChem CID 17198816) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is N-butan-2-yl-3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-butan-2-yl-3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzamide
PubChem CID17198816
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC NameN-butan-2-yl-3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzamide
SMILESCCC(C)NC(=O)c1cccc(NC(=O)COc2cc(C)ccc2C(C)C)c1
InChIInChI=1S/C23H30N2O3/c1-6-17(5)24-23(27)18-8-7-9-19(13-18)25-22(26)14-28-21-12-16(4)10-11-20(21)15(2)3/h7-13,15,17H,6,14H2,1-5H3,(H,24,27)(H,25,26)
InChIKeyNZGRWSZNOUTARF-UHFFFAOYSA-N
XLogP4.66
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylphenyl)-3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzamide
CID 26164580
3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 43877767
3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzamide
CID 16618761
ethyl 3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 17066452
methyl 3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 4787643
N-(3-methylphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 682181
N-(3-bromophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 1181239
[2-(3-acetylanilino)-2-oxoethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate
CID 7839422
N-[3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide
CID 17231324
N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 7929725
N-[(2S)-butan-2-yl]-3-[(4-methylbenzoyl)amino]benzamide
CID 42427411
N-butan-2-yl-3-[[2-(4-methylanilino)-2-oxoethyl]amino]benzamide
CID 54834919

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzamide?
The IUPAC name of N-butan-2-yl-3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzamide (CID 17198816) is N-butan-2-yl-3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzamide.
What is the SMILES notation for N-butan-2-yl-3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzamide?
The canonical SMILES for N-butan-2-yl-3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzamide is CCC(C)NC(=O)c1cccc(NC(=O)COc2cc(C)ccc2C(C)C)c1.
What is the InChIKey of N-butan-2-yl-3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzamide?
The InChIKey is NZGRWSZNOUTARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-6-17(5)24-23(27)18-8-7-9-19(13-18)25-22(26)14-28-21-12-16(4)10-11-20(21)15(2)3/h7-13,15,17H,6,14H2,1-5H3,(H,24,27)(H,25,26).
What are the key properties of N-butan-2-yl-3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzamide?
N-butan-2-yl-3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzamide has a molecular weight of 382.50 g/mol, XLogP of 4.66, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzamide is sourced from PubChem (CID 17198816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).