N-(3-hexoxyphenyl)-4-(2-methylpropoxy)benzamide

C23H31NO3 — CID 17094813

IUPACN-(3-hexoxyphenyl)-4-(2-methylpropoxy)benzamide
SMILESCCCCCCOc1cccc(NC(=O)c2ccc(OCC(C)C)cc2)c1
InChIInChI=1S/C23H31NO3/c1-4-5-6-7-15-26-22-10-8-9-20(16-22)24-23(25)19-11-13-21(14-12-19)27-17-18(2)3/h8-14,16,18H,4-7,15,17H2,1-3H3,(H,24,25)
InChIKeyRSIRGYLXQQKHJR-UHFFFAOYSA-N
MW369.51 g/mol
LogP5.93
Rot. Bonds11

About N-(3-hexoxyphenyl)-4-(2-methylpropoxy)benzamide

N-(3-hexoxyphenyl)-4-(2-methylpropoxy)benzamide (PubChem CID 17094813) has the molecular formula C23H31NO3 and a molecular weight of 369.51 g/mol. Its IUPAC name is N-(3-hexoxyphenyl)-4-(2-methylpropoxy)benzamide.

Molecular Properties

Compound NameN-(3-hexoxyphenyl)-4-(2-methylpropoxy)benzamide
PubChem CID17094813
Molecular FormulaC23H31NO3
Molecular Weight369.51 g/mol
Exact Mass369.23
IUPAC NameN-(3-hexoxyphenyl)-4-(2-methylpropoxy)benzamide
SMILESCCCCCCOc1cccc(NC(=O)c2ccc(OCC(C)C)cc2)c1
InChIInChI=1S/C23H31NO3/c1-4-5-6-7-15-26-22-10-8-9-20(16-22)24-23(25)19-11-13-21(14-12-19)27-17-18(2)3/h8-14,16,18H,4-7,15,17H2,1-3H3,(H,24,25)
InChIKeyRSIRGYLXQQKHJR-UHFFFAOYSA-N
XLogP5.93
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.51
LogP ≤ 55.93
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-[3-(2-methylpropoxy)phenyl]-4-pentoxybenzamide
CID 17079611
4-butoxy-N-(3-hexoxyphenyl)benzamide
CID 17094812
1-N,4-N-bis(3-hexoxyphenyl)benzene-1,4-dicarboxamide
CID 17094971
4-(2-methylpropoxy)-N-[3-(2-methylpropoxy)phenyl]benzamide
CID 17079614
4-(2-methylpropoxy)-N-[3-(2-phenoxyethoxy)phenyl]benzamide
CID 17123566
4-hexoxy-N-[3-(2-phenoxyethoxy)phenyl]benzamide
CID 17123562
N-(4-heptoxyphenyl)-4-(2-methylpropoxy)benzamide
CID 4951578
N-(3-heptoxyphenyl)-4-propan-2-ylbenzamide
CID 17177482
4-hexoxy-N-(3-methoxyphenyl)benzamide
CID 4933605
4-butan-2-yloxy-N-(3-heptoxyphenyl)benzamide
CID 17141359
4-butan-2-yloxy-N-(3-hexoxyphenyl)benzamide
CID 17141337
N-(3-heptoxyphenyl)-4-methylbenzamide
CID 17138098

Frequently Asked Questions

What is the IUPAC name of N-(3-hexoxyphenyl)-4-(2-methylpropoxy)benzamide?
The IUPAC name of N-(3-hexoxyphenyl)-4-(2-methylpropoxy)benzamide (CID 17094813) is N-(3-hexoxyphenyl)-4-(2-methylpropoxy)benzamide.
What is the SMILES notation for N-(3-hexoxyphenyl)-4-(2-methylpropoxy)benzamide?
The canonical SMILES for N-(3-hexoxyphenyl)-4-(2-methylpropoxy)benzamide is CCCCCCOc1cccc(NC(=O)c2ccc(OCC(C)C)cc2)c1.
What is the InChIKey of N-(3-hexoxyphenyl)-4-(2-methylpropoxy)benzamide?
The InChIKey is RSIRGYLXQQKHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO3/c1-4-5-6-7-15-26-22-10-8-9-20(16-22)24-23(25)19-11-13-21(14-12-19)27-17-18(2)3/h8-14,16,18H,4-7,15,17H2,1-3H3,(H,24,25).
What are the key properties of N-(3-hexoxyphenyl)-4-(2-methylpropoxy)benzamide?
N-(3-hexoxyphenyl)-4-(2-methylpropoxy)benzamide has a molecular weight of 369.51 g/mol, XLogP of 5.93, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hexoxyphenyl)-4-(2-methylpropoxy)benzamide is sourced from PubChem (CID 17094813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).