N-(2-butoxyphenyl)-4-(3-methyl-4-propan-2-ylphenoxy)butanamide

C24H33NO3 — CID 2072263

IUPACN-(2-butoxyphenyl)-4-(3-methyl-4-propan-2-ylphenoxy)butanamide
SMILESCCCCOc1ccccc1NC(=O)CCCOc1ccc(C(C)C)c(C)c1
InChIInChI=1S/C24H33NO3/c1-5-6-15-28-23-11-8-7-10-22(23)25-24(26)12-9-16-27-20-13-14-21(18(2)3)19(4)17-20/h7-8,10-11,13-14,17-18H,5-6,9,12,15-16H2,1-4H3,(H,25,26)
InChIKeyQZQKZAVLLALDHA-UHFFFAOYSA-N
MW383.53 g/mol
LogP6.10
Rot. Bonds11

About N-(2-butoxyphenyl)-4-(3-methyl-4-propan-2-ylphenoxy)butanamide

N-(2-butoxyphenyl)-4-(3-methyl-4-propan-2-ylphenoxy)butanamide (PubChem CID 2072263) has the molecular formula C24H33NO3 and a molecular weight of 383.53 g/mol. Its IUPAC name is N-(2-butoxyphenyl)-4-(3-methyl-4-propan-2-ylphenoxy)butanamide.

Molecular Properties

Compound NameN-(2-butoxyphenyl)-4-(3-methyl-4-propan-2-ylphenoxy)butanamide
PubChem CID2072263
Molecular FormulaC24H33NO3
Molecular Weight383.53 g/mol
Exact Mass383.25
IUPAC NameN-(2-butoxyphenyl)-4-(3-methyl-4-propan-2-ylphenoxy)butanamide
SMILESCCCCOc1ccccc1NC(=O)CCCOc1ccc(C(C)C)c(C)c1
InChIInChI=1S/C24H33NO3/c1-5-6-15-28-23-11-8-7-10-22(23)25-24(26)12-9-16-27-20-13-14-21(18(2)3)19(4)17-20/h7-8,10-11,13-14,17-18H,5-6,9,12,15-16H2,1-4H3,(H,25,26)
InChIKeyQZQKZAVLLALDHA-UHFFFAOYSA-N
XLogP6.10
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.53
LogP ≤ 56.10
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

N-(2,4-dimethylphenyl)-4-(3-methyl-4-propan-2-ylphenoxy)butanamide
CID 2072237
N,N'-bis(2-butoxyphenyl)hexanediamide
CID 17087317
N-(2-bromo-4-butylphenyl)-4-(3-methyl-4-propan-2-ylphenoxy)butanamide
CID 53267686
4-(3-methylphenoxy)-N-(2-propoxyphenyl)butanamide
CID 112793578
N-(2-butoxyphenyl)tetradecanamide
CID 54789601
N-(2-butoxyphenyl)-2-(2-propan-2-ylanilino)acetamide
CID 54823404
butyl 3-[4-(3-methyl-4-propan-2-ylphenoxy)butanoylamino]benzoate
CID 19237131
4-(2-ethoxyphenoxy)-N-(2-ethoxyphenyl)butanamide
CID 7935064
4-(3-methyl-4-propan-2-ylphenoxy)-N-(4-phenylmethoxyphenyl)butanamide
CID 2072259
N-(4-bromophenyl)-4-(3-methyl-4-propan-2-ylphenoxy)butanamide
CID 2072293
propyl 3-[4-(3-methyl-4-propan-2-ylphenoxy)butanoylamino]benzoate
CID 2072273
N-(2-butoxyphenyl)-3-(4-fluorophenoxy)propanamide
CID 55906665

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyphenyl)-4-(3-methyl-4-propan-2-ylphenoxy)butanamide?
The IUPAC name of N-(2-butoxyphenyl)-4-(3-methyl-4-propan-2-ylphenoxy)butanamide (CID 2072263) is N-(2-butoxyphenyl)-4-(3-methyl-4-propan-2-ylphenoxy)butanamide.
What is the SMILES notation for N-(2-butoxyphenyl)-4-(3-methyl-4-propan-2-ylphenoxy)butanamide?
The canonical SMILES for N-(2-butoxyphenyl)-4-(3-methyl-4-propan-2-ylphenoxy)butanamide is CCCCOc1ccccc1NC(=O)CCCOc1ccc(C(C)C)c(C)c1.
What is the InChIKey of N-(2-butoxyphenyl)-4-(3-methyl-4-propan-2-ylphenoxy)butanamide?
The InChIKey is QZQKZAVLLALDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO3/c1-5-6-15-28-23-11-8-7-10-22(23)25-24(26)12-9-16-27-20-13-14-21(18(2)3)19(4)17-20/h7-8,10-11,13-14,17-18H,5-6,9,12,15-16H2,1-4H3,(H,25,26).
What are the key properties of N-(2-butoxyphenyl)-4-(3-methyl-4-propan-2-ylphenoxy)butanamide?
N-(2-butoxyphenyl)-4-(3-methyl-4-propan-2-ylphenoxy)butanamide has a molecular weight of 383.53 g/mol, XLogP of 6.10, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyphenyl)-4-(3-methyl-4-propan-2-ylphenoxy)butanamide is sourced from PubChem (CID 2072263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).