N-(2-hydroxy-5-propylphenyl)-4-(4-phenylbutoxy)benzamide

C26H29NO3 — CID 15106554

IUPACN-(2-hydroxy-5-propylphenyl)-4-(4-phenylbutoxy)benzamide
SMILESCCCc1ccc(O)c(NC(=O)c2ccc(OCCCCc3ccccc3)cc2)c1
InChIInChI=1S/C26H29NO3/c1-2-8-21-12-17-25(28)24(19-21)27-26(29)22-13-15-23(16-14-22)30-18-7-6-11-20-9-4-3-5-10-20/h3-5,9-10,12-17,19,28H,2,6-8,11,18H2,1H3,(H,27,29)
InChIKeyBKOASHDUGHAMTB-UHFFFAOYSA-N
MW403.52 g/mol
LogP6.00
Rot. Bonds10

About N-(2-hydroxy-5-propylphenyl)-4-(4-phenylbutoxy)benzamide

N-(2-hydroxy-5-propylphenyl)-4-(4-phenylbutoxy)benzamide (PubChem CID 15106554) has the molecular formula C26H29NO3 and a molecular weight of 403.52 g/mol. Its IUPAC name is N-(2-hydroxy-5-propylphenyl)-4-(4-phenylbutoxy)benzamide.

Molecular Properties

Compound NameN-(2-hydroxy-5-propylphenyl)-4-(4-phenylbutoxy)benzamide
PubChem CID15106554
Molecular FormulaC26H29NO3
Molecular Weight403.52 g/mol
Exact Mass403.21
IUPAC NameN-(2-hydroxy-5-propylphenyl)-4-(4-phenylbutoxy)benzamide
SMILESCCCc1ccc(O)c(NC(=O)c2ccc(OCCCCc3ccccc3)cc2)c1
InChIInChI=1S/C26H29NO3/c1-2-8-21-12-17-25(28)24(19-21)27-26(29)22-13-15-23(16-14-22)30-18-7-6-11-20-9-4-3-5-10-20/h3-5,9-10,12-17,19,28H,2,6-8,11,18H2,1H3,(H,27,29)
InChIKeyBKOASHDUGHAMTB-UHFFFAOYSA-N
XLogP6.00
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.52
LogP ≤ 56.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[(4-hexoxybenzoyl)amino]-4-hydroxyphenyl]acetic acid
CID 108764248
2-[4-ethyl-2-[[4-(4-phenylbutoxy)benzoyl]amino]phenoxy]acetic acid
CID 15106504
3-[(4-hexoxybenzoyl)amino]-4-hydroxybenzoic acid
CID 108753903
4-butoxy-N-[4-(3-phenylpropoxy)phenyl]benzamide
CID 17130195
4-(2-phenylethoxy)-N-[2-[[4-(2-phenylethoxy)benzoyl]amino]phenyl]benzamide
CID 4957348
4-butoxy-N-[4-(2-phenylethoxy)phenyl]benzamide
CID 17066999
N-[2,5-dimethoxy-4-[4-(4-propylphenoxy)butanoylamino]phenyl]benzamide
CID 19191483
4-ethoxy-N-[2-(3-phenylpropoxy)phenyl]benzamide
CID 17131440
ethyl 2-[4-[2-(2-ethoxy-2-oxoethoxy)-2-oxoethoxy]-3-[[4-(4-phenylbutoxy)benzoyl]amino]phenoxy]acetate
CID 15106525
3-(3-benzamido-4-hydroxyphenyl)propanoic acid
CID 58017754
3-[4-(carboxymethoxy)-3-[[4-(4-phenylbutoxy)benzoyl]amino]anilino]-3-oxopropanoic acid
CID 15106511
ethyl 2-[4-amino-2-[[4-(4-phenylbutoxy)benzoyl]amino]phenoxy]acetate;hydrochloride
CID 19882680

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-5-propylphenyl)-4-(4-phenylbutoxy)benzamide?
The IUPAC name of N-(2-hydroxy-5-propylphenyl)-4-(4-phenylbutoxy)benzamide (CID 15106554) is N-(2-hydroxy-5-propylphenyl)-4-(4-phenylbutoxy)benzamide.
What is the SMILES notation for N-(2-hydroxy-5-propylphenyl)-4-(4-phenylbutoxy)benzamide?
The canonical SMILES for N-(2-hydroxy-5-propylphenyl)-4-(4-phenylbutoxy)benzamide is CCCc1ccc(O)c(NC(=O)c2ccc(OCCCCc3ccccc3)cc2)c1.
What is the InChIKey of N-(2-hydroxy-5-propylphenyl)-4-(4-phenylbutoxy)benzamide?
The InChIKey is BKOASHDUGHAMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO3/c1-2-8-21-12-17-25(28)24(19-21)27-26(29)22-13-15-23(16-14-22)30-18-7-6-11-20-9-4-3-5-10-20/h3-5,9-10,12-17,19,28H,2,6-8,11,18H2,1H3,(H,27,29).
What are the key properties of N-(2-hydroxy-5-propylphenyl)-4-(4-phenylbutoxy)benzamide?
N-(2-hydroxy-5-propylphenyl)-4-(4-phenylbutoxy)benzamide has a molecular weight of 403.52 g/mol, XLogP of 6.00, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-5-propylphenyl)-4-(4-phenylbutoxy)benzamide is sourced from PubChem (CID 15106554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).