N-(4-heptoxyphenyl)-2-(3-methylphenoxy)butanamide

C24H33NO3 — CID 4951568

IUPACN-(4-heptoxyphenyl)-2-(3-methylphenoxy)butanamide
SMILESCCCCCCCOc1ccc(NC(=O)C(CC)Oc2cccc(C)c2)cc1
InChIInChI=1S/C24H33NO3/c1-4-6-7-8-9-17-27-21-15-13-20(14-16-21)25-24(26)23(5-2)28-22-12-10-11-19(3)18-22/h10-16,18,23H,4-9,17H2,1-3H3,(H,25,26)
InChIKeyNDOOIRLMTXKSFH-UHFFFAOYSA-N
MW383.53 g/mol
LogP6.14
Rot. Bonds12

About N-(4-heptoxyphenyl)-2-(3-methylphenoxy)butanamide

N-(4-heptoxyphenyl)-2-(3-methylphenoxy)butanamide (PubChem CID 4951568) has the molecular formula C24H33NO3 and a molecular weight of 383.53 g/mol. Its IUPAC name is N-(4-heptoxyphenyl)-2-(3-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-(4-heptoxyphenyl)-2-(3-methylphenoxy)butanamide
PubChem CID4951568
Molecular FormulaC24H33NO3
Molecular Weight383.53 g/mol
Exact Mass383.25
IUPAC NameN-(4-heptoxyphenyl)-2-(3-methylphenoxy)butanamide
SMILESCCCCCCCOc1ccc(NC(=O)C(CC)Oc2cccc(C)c2)cc1
InChIInChI=1S/C24H33NO3/c1-4-6-7-8-9-17-27-21-15-13-20(14-16-21)25-24(26)23(5-2)28-22-12-10-11-19(3)18-22/h10-16,18,23H,4-9,17H2,1-3H3,(H,25,26)
InChIKeyNDOOIRLMTXKSFH-UHFFFAOYSA-N
XLogP6.14
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.53
LogP ≤ 56.14
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

2-(3-methylphenoxy)-N-(4-propoxyphenyl)butanamide
CID 4943144
2-(3-methylphenoxy)-N-[4-[4-[2-(3-methylphenoxy)butanoylamino]phenoxy]phenyl]butanamide
CID 4929418
4-hexoxy-N'-[2-(3-methylphenoxy)butanoyl]benzohydrazide
CID 4930869
(2R)-2-(3-methylphenoxy)-N-[4-(propanoylamino)phenyl]butanamide
CID 42579556
(2S)-2-(3-methylphenoxy)-N-[4-(propanoylamino)phenyl]butanamide
CID 42579555
(2S)-2-phenoxy-N-[4-(2-phenoxyethoxy)phenyl]butanamide
CID 9296848
N-[4-[2-(3-methylphenoxy)butanoylamino]phenyl]benzamide
CID 17235402
4-hexoxy-N-[2-(3-methylphenoxy)propyl]aniline
CID 54798879
N-(3,4-difluorophenyl)-2-(3-methylphenoxy)butanamide
CID 43905460
2-(3-methylphenoxy)-N-[3-(2-methylpropanoylamino)phenyl]butanamide
CID 17189216
(2R)-N-[4-(diethylaminomethyl)phenyl]-2-(3-methylphenoxy)butanamide
CID 99954912
2-(3-methylphenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]butanamide
CID 133239925

Frequently Asked Questions

What is the IUPAC name of N-(4-heptoxyphenyl)-2-(3-methylphenoxy)butanamide?
The IUPAC name of N-(4-heptoxyphenyl)-2-(3-methylphenoxy)butanamide (CID 4951568) is N-(4-heptoxyphenyl)-2-(3-methylphenoxy)butanamide.
What is the SMILES notation for N-(4-heptoxyphenyl)-2-(3-methylphenoxy)butanamide?
The canonical SMILES for N-(4-heptoxyphenyl)-2-(3-methylphenoxy)butanamide is CCCCCCCOc1ccc(NC(=O)C(CC)Oc2cccc(C)c2)cc1.
What is the InChIKey of N-(4-heptoxyphenyl)-2-(3-methylphenoxy)butanamide?
The InChIKey is NDOOIRLMTXKSFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO3/c1-4-6-7-8-9-17-27-21-15-13-20(14-16-21)25-24(26)23(5-2)28-22-12-10-11-19(3)18-22/h10-16,18,23H,4-9,17H2,1-3H3,(H,25,26).
What are the key properties of N-(4-heptoxyphenyl)-2-(3-methylphenoxy)butanamide?
N-(4-heptoxyphenyl)-2-(3-methylphenoxy)butanamide has a molecular weight of 383.53 g/mol, XLogP of 6.14, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-heptoxyphenyl)-2-(3-methylphenoxy)butanamide is sourced from PubChem (CID 4951568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).