N-(3-heptoxyphenyl)-4-propan-2-ylbenzamide

C23H31NO2 — CID 17177482

IUPACN-(3-heptoxyphenyl)-4-propan-2-ylbenzamide
SMILESCCCCCCCOc1cccc(NC(=O)c2ccc(C(C)C)cc2)c1
InChIInChI=1S/C23H31NO2/c1-4-5-6-7-8-16-26-22-11-9-10-21(17-22)24-23(25)20-14-12-19(13-15-20)18(2)3/h9-15,17-18H,4-8,16H2,1-3H3,(H,24,25)
InChIKeyUXTDBYMRARKRAO-UHFFFAOYSA-N
MW353.51 g/mol
LogP6.41
Rot. Bonds10

About N-(3-heptoxyphenyl)-4-propan-2-ylbenzamide

N-(3-heptoxyphenyl)-4-propan-2-ylbenzamide (PubChem CID 17177482) has the molecular formula C23H31NO2 and a molecular weight of 353.51 g/mol. Its IUPAC name is N-(3-heptoxyphenyl)-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-(3-heptoxyphenyl)-4-propan-2-ylbenzamide
PubChem CID17177482
Molecular FormulaC23H31NO2
Molecular Weight353.51 g/mol
Exact Mass353.24
IUPAC NameN-(3-heptoxyphenyl)-4-propan-2-ylbenzamide
SMILESCCCCCCCOc1cccc(NC(=O)c2ccc(C(C)C)cc2)c1
InChIInChI=1S/C23H31NO2/c1-4-5-6-7-8-16-26-22-11-9-10-21(17-22)24-23(25)20-14-12-19(13-15-20)18(2)3/h9-15,17-18H,4-8,16H2,1-3H3,(H,24,25)
InChIKeyUXTDBYMRARKRAO-UHFFFAOYSA-N
XLogP6.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.51
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N,4-N-bis(3-hexoxyphenyl)benzene-1,4-dicarboxamide
CID 17094971
N-[(3-heptoxyphenyl)carbamothioyl]-4-propan-2-ylbenzamide
CID 17177790
4-butoxy-N-(3-hexoxyphenyl)benzamide
CID 17094812
N-(3-heptoxyphenyl)-4-methylbenzamide
CID 17138098
N-(3-hexoxyphenyl)-4-(2-methylpropoxy)benzamide
CID 17094813
4-hexoxy-N-[3-(2-phenoxyethoxy)phenyl]benzamide
CID 17123562
4-hydroxy-N-(3-pentoxyphenyl)benzamide
CID 54418426
4-butan-2-yloxy-N-(3-heptoxyphenyl)benzamide
CID 17141359
4-butan-2-yloxy-N-(3-hexoxyphenyl)benzamide
CID 17141337
N-[3-(2-methylpropoxy)phenyl]-4-pentoxybenzamide
CID 17079611
4-hexoxy-N-(3-methoxyphenyl)benzamide
CID 4933605
3-chloro-N-(3-hexoxyphenyl)benzamide
CID 17094792

Frequently Asked Questions

What is the IUPAC name of N-(3-heptoxyphenyl)-4-propan-2-ylbenzamide?
The IUPAC name of N-(3-heptoxyphenyl)-4-propan-2-ylbenzamide (CID 17177482) is N-(3-heptoxyphenyl)-4-propan-2-ylbenzamide.
What is the SMILES notation for N-(3-heptoxyphenyl)-4-propan-2-ylbenzamide?
The canonical SMILES for N-(3-heptoxyphenyl)-4-propan-2-ylbenzamide is CCCCCCCOc1cccc(NC(=O)c2ccc(C(C)C)cc2)c1.
What is the InChIKey of N-(3-heptoxyphenyl)-4-propan-2-ylbenzamide?
The InChIKey is UXTDBYMRARKRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO2/c1-4-5-6-7-8-16-26-22-11-9-10-21(17-22)24-23(25)20-14-12-19(13-15-20)18(2)3/h9-15,17-18H,4-8,16H2,1-3H3,(H,24,25).
What are the key properties of N-(3-heptoxyphenyl)-4-propan-2-ylbenzamide?
N-(3-heptoxyphenyl)-4-propan-2-ylbenzamide has a molecular weight of 353.51 g/mol, XLogP of 6.41, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-heptoxyphenyl)-4-propan-2-ylbenzamide is sourced from PubChem (CID 17177482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).