N-(4-butoxyphenyl)-2-propan-2-yloxybenzamide

C20H25NO3 — CID 17045605

IUPACN-(4-butoxyphenyl)-2-propan-2-yloxybenzamide
SMILESCCCCOc1ccc(NC(=O)c2ccccc2OC(C)C)cc1
InChIInChI=1S/C20H25NO3/c1-4-5-14-23-17-12-10-16(11-13-17)21-20(22)18-8-6-7-9-19(18)24-15(2)3/h6-13,15H,4-5,14H2,1-3H3,(H,21,22)
InChIKeyNKGJOPOOOVZLMC-UHFFFAOYSA-N
MW327.42 g/mol
LogP4.91
Rot. Bonds8

About N-(4-butoxyphenyl)-2-propan-2-yloxybenzamide

N-(4-butoxyphenyl)-2-propan-2-yloxybenzamide (PubChem CID 17045605) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is N-(4-butoxyphenyl)-2-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-(4-butoxyphenyl)-2-propan-2-yloxybenzamide
PubChem CID17045605
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC NameN-(4-butoxyphenyl)-2-propan-2-yloxybenzamide
SMILESCCCCOc1ccc(NC(=O)c2ccccc2OC(C)C)cc1
InChIInChI=1S/C20H25NO3/c1-4-5-14-23-17-12-10-16(11-13-17)21-20(22)18-8-6-7-9-19(18)24-15(2)3/h6-13,15H,4-5,14H2,1-3H3,(H,21,22)
InChIKeyNKGJOPOOOVZLMC-UHFFFAOYSA-N
XLogP4.91
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-butoxy-N-(4-propoxyphenyl)benzamide
CID 4943156
2-propan-2-yloxy-N-[4-[(2-propan-2-yloxybenzoyl)amino]phenyl]benzamide
CID 17046033
2-pentoxy-N-(4-propoxyphenyl)benzamide
CID 4946753
N-(4-butoxyphenyl)-2-[[2-[(4-butoxyphenyl)carbamoyl]phenyl]disulfanyl]benzamide
CID 15165551
2-propan-2-yloxy-N-(3-propoxyphenyl)benzamide
CID 17096796
2-hexoxy-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 4958241
N-(4-butoxyphenyl)-2-(2-phenylethoxy)benzamide
CID 19628186
N-(4-acetamidophenyl)-2-propan-2-yloxybenzamide
CID 17045479
2-(2-phenoxyethoxy)-N-(4-propoxyphenyl)benzamide
CID 4954419
2-butoxy-N-[(4-propan-2-yloxyphenyl)carbamothioyl]benzamide
CID 17340036
2-butoxy-N-(4-methylphenyl)benzamide
CID 4940933
2-butoxy-N-[4-[[4-[(2-butoxybenzoyl)amino]phenyl]methyl]phenyl]benzamide
CID 4941899

Frequently Asked Questions

What is the IUPAC name of N-(4-butoxyphenyl)-2-propan-2-yloxybenzamide?
The IUPAC name of N-(4-butoxyphenyl)-2-propan-2-yloxybenzamide (CID 17045605) is N-(4-butoxyphenyl)-2-propan-2-yloxybenzamide.
What is the SMILES notation for N-(4-butoxyphenyl)-2-propan-2-yloxybenzamide?
The canonical SMILES for N-(4-butoxyphenyl)-2-propan-2-yloxybenzamide is CCCCOc1ccc(NC(=O)c2ccccc2OC(C)C)cc1.
What is the InChIKey of N-(4-butoxyphenyl)-2-propan-2-yloxybenzamide?
The InChIKey is NKGJOPOOOVZLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-4-5-14-23-17-12-10-16(11-13-17)21-20(22)18-8-6-7-9-19(18)24-15(2)3/h6-13,15H,4-5,14H2,1-3H3,(H,21,22).
What are the key properties of N-(4-butoxyphenyl)-2-propan-2-yloxybenzamide?
N-(4-butoxyphenyl)-2-propan-2-yloxybenzamide has a molecular weight of 327.42 g/mol, XLogP of 4.91, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butoxyphenyl)-2-propan-2-yloxybenzamide is sourced from PubChem (CID 17045605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).