4-butan-2-yloxy-N-[4-(2-methylpropoxy)phenyl]benzamide

C21H27NO3 — CID 17141312

IUPAC4-butan-2-yloxy-N-[4-(2-methylpropoxy)phenyl]benzamide
SMILESCCC(C)Oc1ccc(C(=O)Nc2ccc(OCC(C)C)cc2)cc1
InChIInChI=1S/C21H27NO3/c1-5-16(4)25-20-10-6-17(7-11-20)21(23)22-18-8-12-19(13-9-18)24-14-15(2)3/h6-13,15-16H,5,14H2,1-4H3,(H,22,23)
InChIKeyWQDLBZAKFAQOHB-UHFFFAOYSA-N
MW341.45 g/mol
LogP5.15
Rot. Bonds8

About 4-butan-2-yloxy-N-[4-(2-methylpropoxy)phenyl]benzamide

4-butan-2-yloxy-N-[4-(2-methylpropoxy)phenyl]benzamide (PubChem CID 17141312) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is 4-butan-2-yloxy-N-[4-(2-methylpropoxy)phenyl]benzamide.

Molecular Properties

Compound Name4-butan-2-yloxy-N-[4-(2-methylpropoxy)phenyl]benzamide
PubChem CID17141312
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC Name4-butan-2-yloxy-N-[4-(2-methylpropoxy)phenyl]benzamide
SMILESCCC(C)Oc1ccc(C(=O)Nc2ccc(OCC(C)C)cc2)cc1
InChIInChI=1S/C21H27NO3/c1-5-16(4)25-20-10-6-17(7-11-20)21(23)22-18-8-12-19(13-9-18)24-14-15(2)3/h6-13,15-16H,5,14H2,1-4H3,(H,22,23)
InChIKeyWQDLBZAKFAQOHB-UHFFFAOYSA-N
XLogP5.15
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.45
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(4-butan-2-yloxybenzoyl)-4-(2-methylpropoxy)benzohydrazide
CID 17141455
4-butan-2-yloxy-N-(4-propoxyphenyl)benzamide
CID 17141313
N-ethyl-4-[[4-(2-methylpropoxy)benzoyl]amino]benzamide
CID 17234354
N-(4-butan-2-yloxyphenyl)-4-methoxybenzamide
CID 17160544
N-butan-2-yl-4-[[4-(2-methylpropoxy)benzoyl]amino]benzamide
CID 17201290
N-(4-butan-2-ylphenyl)-4-(2-methylpropoxy)benzamide
CID 23966812
4-[[4-(2-methylpropoxy)benzoyl]amino]benzamide
CID 2994766
N-[4-(butanoylamino)phenyl]-4-(2-methylpropoxy)benzamide
CID 17202512
4-(aminomethyl)-N-(4-butan-2-yloxyphenyl)benzamide;hydrochloride
CID 119298184
N-(4-heptoxyphenyl)-4-(2-methylpropoxy)benzamide
CID 4951578
4-[(2R)-butan-2-yl]oxy-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]benzamide
CID 6958043
N-[4-(2-methylpropoxy)phenyl]-4-phenylmethoxybenzamide
CID 4958406

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yloxy-N-[4-(2-methylpropoxy)phenyl]benzamide?
The IUPAC name of 4-butan-2-yloxy-N-[4-(2-methylpropoxy)phenyl]benzamide (CID 17141312) is 4-butan-2-yloxy-N-[4-(2-methylpropoxy)phenyl]benzamide.
What is the SMILES notation for 4-butan-2-yloxy-N-[4-(2-methylpropoxy)phenyl]benzamide?
The canonical SMILES for 4-butan-2-yloxy-N-[4-(2-methylpropoxy)phenyl]benzamide is CCC(C)Oc1ccc(C(=O)Nc2ccc(OCC(C)C)cc2)cc1.
What is the InChIKey of 4-butan-2-yloxy-N-[4-(2-methylpropoxy)phenyl]benzamide?
The InChIKey is WQDLBZAKFAQOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3/c1-5-16(4)25-20-10-6-17(7-11-20)21(23)22-18-8-12-19(13-9-18)24-14-15(2)3/h6-13,15-16H,5,14H2,1-4H3,(H,22,23).
What are the key properties of 4-butan-2-yloxy-N-[4-(2-methylpropoxy)phenyl]benzamide?
4-butan-2-yloxy-N-[4-(2-methylpropoxy)phenyl]benzamide has a molecular weight of 341.45 g/mol, XLogP of 5.15, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yloxy-N-[4-(2-methylpropoxy)phenyl]benzamide is sourced from PubChem (CID 17141312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).