4-cyclopropyl-4-(3-heptoxyphenyl)pentanamide

C21H33NO2 — CID 67553036

IUPAC4-cyclopropyl-4-(3-heptoxyphenyl)pentanamide
SMILESCCCCCCCOc1cccc(C(C)(CCC(N)=O)C2CC2)c1
InChIInChI=1S/C21H33NO2/c1-3-4-5-6-7-15-24-19-10-8-9-18(16-19)21(2,17-11-12-17)14-13-20(22)23/h8-10,16-17H,3-7,11-15H2,1-2H3,(H2,22,23)
InChIKeyRODPSRMCTUEDID-UHFFFAOYSA-N
MW331.50 g/mol
LogP4.97
Rot. Bonds12

About 4-cyclopropyl-4-(3-heptoxyphenyl)pentanamide

4-cyclopropyl-4-(3-heptoxyphenyl)pentanamide (PubChem CID 67553036) has the molecular formula C21H33NO2 and a molecular weight of 331.50 g/mol. Its IUPAC name is 4-cyclopropyl-4-(3-heptoxyphenyl)pentanamide.

Molecular Properties

Compound Name4-cyclopropyl-4-(3-heptoxyphenyl)pentanamide
PubChem CID67553036
Molecular FormulaC21H33NO2
Molecular Weight331.50 g/mol
Exact Mass331.25
IUPAC Name4-cyclopropyl-4-(3-heptoxyphenyl)pentanamide
SMILESCCCCCCCOc1cccc(C(C)(CCC(N)=O)C2CC2)c1
InChIInChI=1S/C21H33NO2/c1-3-4-5-6-7-15-24-19-10-8-9-18(16-19)21(2,17-11-12-17)14-13-20(22)23/h8-10,16-17H,3-7,11-15H2,1-2H3,(H2,22,23)
InChIKeyRODPSRMCTUEDID-UHFFFAOYSA-N
XLogP4.97
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.50
LogP ≤ 54.97
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

4-cyclopropyl-4-(3-propoxyphenyl)pentanamide
CID 67553858
4-cyclopropyl-4-(3-prop-2-enoxyphenyl)pentanamide
CID 67554506
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CID 91554175
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3-(5-butoxypentoxy)benzamide
CID 71713772
1,3-dihexadecoxybenzene
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1,2-bis(3-hexoxyphenyl)ethane-1,2-dione
CID 71777687
3-(3-heptoxypropoxy)benzoic acid
CID 63530132
3-dodecoxyphenol
CID 15719132
3-[3-(trifluoromethyl)phenoxy]propanamide
CID 55207241
(3-hexoxyphenyl)urea
CID 102387253
2,2-dimethyl-3-(3-octadecoxyphenyl)-3-oxopropanoic acid
CID 23036063

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-4-(3-heptoxyphenyl)pentanamide?
The IUPAC name of 4-cyclopropyl-4-(3-heptoxyphenyl)pentanamide (CID 67553036) is 4-cyclopropyl-4-(3-heptoxyphenyl)pentanamide.
What is the SMILES notation for 4-cyclopropyl-4-(3-heptoxyphenyl)pentanamide?
The canonical SMILES for 4-cyclopropyl-4-(3-heptoxyphenyl)pentanamide is CCCCCCCOc1cccc(C(C)(CCC(N)=O)C2CC2)c1.
What is the InChIKey of 4-cyclopropyl-4-(3-heptoxyphenyl)pentanamide?
The InChIKey is RODPSRMCTUEDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33NO2/c1-3-4-5-6-7-15-24-19-10-8-9-18(16-19)21(2,17-11-12-17)14-13-20(22)23/h8-10,16-17H,3-7,11-15H2,1-2H3,(H2,22,23).
What are the key properties of 4-cyclopropyl-4-(3-heptoxyphenyl)pentanamide?
4-cyclopropyl-4-(3-heptoxyphenyl)pentanamide has a molecular weight of 331.50 g/mol, XLogP of 4.97, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-4-(3-heptoxyphenyl)pentanamide is sourced from PubChem (CID 67553036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).