N-[3-(2-methylpropoxy)phenyl]-4-pentoxybenzamide

C22H29NO3 — CID 17079611

IUPACN-[3-(2-methylpropoxy)phenyl]-4-pentoxybenzamide
SMILESCCCCCOc1ccc(C(=O)Nc2cccc(OCC(C)C)c2)cc1
InChIInChI=1S/C22H29NO3/c1-4-5-6-14-25-20-12-10-18(11-13-20)22(24)23-19-8-7-9-21(15-19)26-16-17(2)3/h7-13,15,17H,4-6,14,16H2,1-3H3,(H,23,24)
InChIKeyRBULRLONQNIQIQ-UHFFFAOYSA-N
MW355.48 g/mol
LogP5.54
Rot. Bonds10

About N-[3-(2-methylpropoxy)phenyl]-4-pentoxybenzamide

N-[3-(2-methylpropoxy)phenyl]-4-pentoxybenzamide (PubChem CID 17079611) has the molecular formula C22H29NO3 and a molecular weight of 355.48 g/mol. Its IUPAC name is N-[3-(2-methylpropoxy)phenyl]-4-pentoxybenzamide.

Molecular Properties

Compound NameN-[3-(2-methylpropoxy)phenyl]-4-pentoxybenzamide
PubChem CID17079611
Molecular FormulaC22H29NO3
Molecular Weight355.48 g/mol
Exact Mass355.21
IUPAC NameN-[3-(2-methylpropoxy)phenyl]-4-pentoxybenzamide
SMILESCCCCCOc1ccc(C(=O)Nc2cccc(OCC(C)C)c2)cc1
InChIInChI=1S/C22H29NO3/c1-4-5-6-14-25-20-12-10-18(11-13-20)22(24)23-19-8-7-9-21(15-19)26-16-17(2)3/h7-13,15,17H,4-6,14,16H2,1-3H3,(H,23,24)
InChIKeyRBULRLONQNIQIQ-UHFFFAOYSA-N
XLogP5.54
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.48
LogP ≤ 55.54
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-hexoxyphenyl)-4-(2-methylpropoxy)benzamide
CID 17094813
4-butoxy-N-(3-hexoxyphenyl)benzamide
CID 17094812
4-(2-methylpropoxy)-N-[3-(2-methylpropoxy)phenyl]benzamide
CID 17079614
4-(2-methylpropoxy)-N-[3-(2-phenoxyethoxy)phenyl]benzamide
CID 17123566
1-N,4-N-bis(3-hexoxyphenyl)benzene-1,4-dicarboxamide
CID 17094971
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
3-(2-methylpropoxy)-N-(3-propoxyphenyl)benzamide
CID 17140377
4-hydroxy-N-(3-pentoxyphenyl)benzamide
CID 54418426
4-butan-2-yloxy-N-(3-hexoxyphenyl)benzamide
CID 17141337

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylpropoxy)phenyl]-4-pentoxybenzamide?
The IUPAC name of N-[3-(2-methylpropoxy)phenyl]-4-pentoxybenzamide (CID 17079611) is N-[3-(2-methylpropoxy)phenyl]-4-pentoxybenzamide.
What is the SMILES notation for N-[3-(2-methylpropoxy)phenyl]-4-pentoxybenzamide?
The canonical SMILES for N-[3-(2-methylpropoxy)phenyl]-4-pentoxybenzamide is CCCCCOc1ccc(C(=O)Nc2cccc(OCC(C)C)c2)cc1.
What is the InChIKey of N-[3-(2-methylpropoxy)phenyl]-4-pentoxybenzamide?
The InChIKey is RBULRLONQNIQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO3/c1-4-5-6-14-25-20-12-10-18(11-13-20)22(24)23-19-8-7-9-21(15-19)26-16-17(2)3/h7-13,15,17H,4-6,14,16H2,1-3H3,(H,23,24).
What are the key properties of N-[3-(2-methylpropoxy)phenyl]-4-pentoxybenzamide?
N-[3-(2-methylpropoxy)phenyl]-4-pentoxybenzamide has a molecular weight of 355.48 g/mol, XLogP of 5.54, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylpropoxy)phenyl]-4-pentoxybenzamide is sourced from PubChem (CID 17079611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).