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

C22H28N2O3 — CID 17218695

IUPAC4-[[2-(2-butan-2-ylphenoxy)acetyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(NC(=O)COc2ccccc2C(C)CC)cc1
InChIInChI=1S/C22H28N2O3/c1-4-14-23-22(26)17-10-12-18(13-11-17)24-21(25)15-27-20-9-7-6-8-19(20)16(3)5-2/h6-13,16H,4-5,14-15H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyVFJUECMEASHKLX-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.36
Rot. Bonds9

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

4-[[2-(2-butan-2-ylphenoxy)acetyl]amino]-N-propylbenzamide (PubChem CID 17218695) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 4-[[2-(2-butan-2-ylphenoxy)acetyl]amino]-N-propylbenzamide.

Molecular Properties

Compound Name4-[[2-(2-butan-2-ylphenoxy)acetyl]amino]-N-propylbenzamide
PubChem CID17218695
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name4-[[2-(2-butan-2-ylphenoxy)acetyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(NC(=O)COc2ccccc2C(C)CC)cc1
InChIInChI=1S/C22H28N2O3/c1-4-14-23-22(26)17-10-12-18(13-11-17)24-21(25)15-27-20-9-7-6-8-19(20)16(3)5-2/h6-13,16H,4-5,14-15H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyVFJUECMEASHKLX-UHFFFAOYSA-N
XLogP4.36
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-butan-2-ylphenoxy)-N-(4-fluorophenyl)acetamide
CID 2950014
2-[2-[(2S)-butan-2-yl]phenoxy]-N-(4-methylphenyl)acetamide
CID 833563
2-[2-[(2R)-butan-2-yl]phenoxy]-N-(4-methylphenyl)acetamide
CID 833562
2-(2-butan-2-ylphenoxy)-N-(4-butoxyphenyl)acetamide
CID 4939634
2-[2-[(2S)-butan-2-yl]phenoxy]-N-(4-methoxyphenyl)acetamide
CID 922510
2-(2-butan-2-ylphenoxy)-N-(4-propan-2-yloxyphenyl)acetamide
CID 17340192
4-[[2-(2-nitrophenoxy)acetyl]amino]-N-propylbenzamide
CID 17218797
3-[[2-(2-butan-2-ylphenoxy)acetyl]amino]-N-(3-ethoxypropyl)benzamide
CID 55802015
2-(2-butan-2-ylphenoxy)-N-(4-prop-2-enoxyphenyl)acetamide
CID 4952443
N-(3-amino-4-chlorophenyl)-2-(2-butan-2-ylphenoxy)acetamide
CID 46735825
4-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-N-propylbenzamide
CID 17218734
N'-[2-[2-[(2R)-butan-2-yl]phenoxy]acetyl]-4-propoxybenzohydrazide
CID 8757276

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-butan-2-ylphenoxy)acetyl]amino]-N-propylbenzamide?
The IUPAC name of 4-[[2-(2-butan-2-ylphenoxy)acetyl]amino]-N-propylbenzamide (CID 17218695) is 4-[[2-(2-butan-2-ylphenoxy)acetyl]amino]-N-propylbenzamide.
What is the SMILES notation for 4-[[2-(2-butan-2-ylphenoxy)acetyl]amino]-N-propylbenzamide?
The canonical SMILES for 4-[[2-(2-butan-2-ylphenoxy)acetyl]amino]-N-propylbenzamide is CCCNC(=O)c1ccc(NC(=O)COc2ccccc2C(C)CC)cc1.
What is the InChIKey of 4-[[2-(2-butan-2-ylphenoxy)acetyl]amino]-N-propylbenzamide?
The InChIKey is VFJUECMEASHKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-4-14-23-22(26)17-10-12-18(13-11-17)24-21(25)15-27-20-9-7-6-8-19(20)16(3)5-2/h6-13,16H,4-5,14-15H2,1-3H3,(H,23,26)(H,24,25).
What are the key properties of 4-[[2-(2-butan-2-ylphenoxy)acetyl]amino]-N-propylbenzamide?
4-[[2-(2-butan-2-ylphenoxy)acetyl]amino]-N-propylbenzamide has a molecular weight of 368.48 g/mol, XLogP of 4.36, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-butan-2-ylphenoxy)acetyl]amino]-N-propylbenzamide is sourced from PubChem (CID 17218695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).