N-(6-hydroxyhexyl)-2,5-bis(phenylmethoxy)benzamide

C27H31NO4 — CID 67718157

IUPACN-(6-hydroxyhexyl)-2,5-bis(phenylmethoxy)benzamide
SMILESO=C(NCCCCCCO)c1cc(OCc2ccccc2)ccc1OCc1ccccc1
InChIInChI=1S/C27H31NO4/c29-18-10-2-1-9-17-28-27(30)25-19-24(31-20-22-11-5-3-6-12-22)15-16-26(25)32-21-23-13-7-4-8-14-23/h3-8,11-16,19,29H,1-2,9-10,17-18,20-21H2,(H,28,30)
InChIKeyGOUMBFMYHIHRCW-UHFFFAOYSA-N
MW433.55 g/mol
LogP5.13
Rot. Bonds13

About N-(6-hydroxyhexyl)-2,5-bis(phenylmethoxy)benzamide

N-(6-hydroxyhexyl)-2,5-bis(phenylmethoxy)benzamide (PubChem CID 67718157) has the molecular formula C27H31NO4 and a molecular weight of 433.55 g/mol. Its IUPAC name is N-(6-hydroxyhexyl)-2,5-bis(phenylmethoxy)benzamide.

Molecular Properties

Compound NameN-(6-hydroxyhexyl)-2,5-bis(phenylmethoxy)benzamide
PubChem CID67718157
Molecular FormulaC27H31NO4
Molecular Weight433.55 g/mol
Exact Mass433.23
IUPAC NameN-(6-hydroxyhexyl)-2,5-bis(phenylmethoxy)benzamide
SMILESO=C(NCCCCCCO)c1cc(OCc2ccccc2)ccc1OCc1ccccc1
InChIInChI=1S/C27H31NO4/c29-18-10-2-1-9-17-28-27(30)25-19-24(31-20-22-11-5-3-6-12-22)15-16-26(25)32-21-23-13-7-4-8-14-23/h3-8,11-16,19,29H,1-2,9-10,17-18,20-21H2,(H,28,30)
InChIKeyGOUMBFMYHIHRCW-UHFFFAOYSA-N
XLogP5.13
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.55
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(6-hydroxyhexyl)-2,5-bis(phenylmethoxy)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(methylamino)-4-oxobutyl]-2,5-bis(phenylmethoxy)benzamide
CID 67653350
N-[6-oxo-6-(5-oxopyrrolidin-2-yl)hexyl]-2,5-bis(phenylmethoxy)benzamide
CID 67833101
2,5-bis(phenylmethoxy)-N-(2-piperidin-1-ylethyl)benzamide
CID 139616736
3-[2,5-bis(phenylmethoxy)phenyl]-3-oxopropanoic acid
CID 170887038
2-phenyl-N-(2-phenylethyl)-5-phenylmethoxybenzamide
CID 16663785
N-(4-hydroxybutyl)-2,5-dimethoxybenzamide
CID 106843793
2-ethoxy-N-(6-hydroxyhexyl)benzamide
CID 103919109
3-[2,5-bis(phenylmethoxy)phenyl]propan-1-ol
CID 86006432
N-(2-hydroxyethyl)-4-phenylmethoxybenzamide
CID 10825986
2-chloro-N-(2-chloroethyl)-4-phenylmethoxybenzamide
CID 3826640
2,5-bis(phenylmethoxy)benzene-1,4-dicarbohydrazide
CID 155221310
N-(2-hydroxyethyl)-3,5-bis(phenylmethoxy)benzamide
CID 171338561

Frequently Asked Questions

What is the IUPAC name of N-(6-hydroxyhexyl)-2,5-bis(phenylmethoxy)benzamide?
The IUPAC name of N-(6-hydroxyhexyl)-2,5-bis(phenylmethoxy)benzamide (CID 67718157) is N-(6-hydroxyhexyl)-2,5-bis(phenylmethoxy)benzamide.
What is the SMILES notation for N-(6-hydroxyhexyl)-2,5-bis(phenylmethoxy)benzamide?
The canonical SMILES for N-(6-hydroxyhexyl)-2,5-bis(phenylmethoxy)benzamide is O=C(NCCCCCCO)c1cc(OCc2ccccc2)ccc1OCc1ccccc1.
What is the InChIKey of N-(6-hydroxyhexyl)-2,5-bis(phenylmethoxy)benzamide?
The InChIKey is GOUMBFMYHIHRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31NO4/c29-18-10-2-1-9-17-28-27(30)25-19-24(31-20-22-11-5-3-6-12-22)15-16-26(25)32-21-23-13-7-4-8-14-23/h3-8,11-16,19,29H,1-2,9-10,17-18,20-21H2,(H,28,30).
What are the key properties of N-(6-hydroxyhexyl)-2,5-bis(phenylmethoxy)benzamide?
N-(6-hydroxyhexyl)-2,5-bis(phenylmethoxy)benzamide has a molecular weight of 433.55 g/mol, XLogP of 5.13, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-hydroxyhexyl)-2,5-bis(phenylmethoxy)benzamide is sourced from PubChem (CID 67718157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).