N-(3-cyclopentyloxyphenyl)-N-methyloctanamide

C20H31NO2 — CID 70892575

IUPACN-(3-cyclopentyloxyphenyl)-N-methyloctanamide
SMILESCCCCCCCC(=O)N(C)c1cccc(OC2CCCC2)c1
InChIInChI=1S/C20H31NO2/c1-3-4-5-6-7-15-20(22)21(2)17-11-10-14-19(16-17)23-18-12-8-9-13-18/h10-11,14,16,18H,3-9,12-13,15H2,1-2H3
InChIKeyHNYFZQLTLQIEBE-UHFFFAOYSA-N
MW317.47 g/mol
LogP5.33
Rot. Bonds9

About N-(3-cyclopentyloxyphenyl)-N-methyloctanamide

N-(3-cyclopentyloxyphenyl)-N-methyloctanamide (PubChem CID 70892575) has the molecular formula C20H31NO2 and a molecular weight of 317.47 g/mol. Its IUPAC name is N-(3-cyclopentyloxyphenyl)-N-methyloctanamide.

Molecular Properties

Compound NameN-(3-cyclopentyloxyphenyl)-N-methyloctanamide
PubChem CID70892575
Molecular FormulaC20H31NO2
Molecular Weight317.47 g/mol
Exact Mass317.24
IUPAC NameN-(3-cyclopentyloxyphenyl)-N-methyloctanamide
SMILESCCCCCCCC(=O)N(C)c1cccc(OC2CCCC2)c1
InChIInChI=1S/C20H31NO2/c1-3-4-5-6-7-15-20(22)21(2)17-11-10-14-19(16-17)23-18-12-8-9-13-18/h10-11,14,16,18H,3-9,12-13,15H2,1-2H3
InChIKeyHNYFZQLTLQIEBE-UHFFFAOYSA-N
XLogP5.33
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.47
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-hydroxyphenyl)-N-methylnonanamide
CID 107736082
N-methyl-N-phenylnonanamide
CID 54136731
N-[3-(aminomethyl)phenyl]-N-methyldecanamide
CID 65447779
N-(3-hydroxyphenyl)-N-methylpentanamide
CID 107735913
N-(3-methoxyphenyl)-N-methyl-3-piperidin-2-ylpropanamide
CID 62211493
ethyl 2-(3-cyclopentyloxyphenyl)-2-hydroxyacetate
CID 117415048
N-[3-(2-aminoethoxy)phenyl]-N-methylbutanamide
CID 28755982
1-(4-cyclopropyloxyphenyl)nonan-1-one
CID 115812846
2-[(3-cyclopentyloxybenzoyl)-methylamino]acetic acid
CID 119171827
3-[5-[3-[heptanoyl(methyl)amino]phenyl]pyrimidin-2-yl]propanoic acid
CID 159154740
2-[3-(3-cyclopentyloxyphenyl)propanoyl-ethylamino]acetic acid
CID 119206123
3-(3-cyclopentyloxyphenyl)-N-[2-(ethylamino)ethyl]propanamide
CID 119508902

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentyloxyphenyl)-N-methyloctanamide?
The IUPAC name of N-(3-cyclopentyloxyphenyl)-N-methyloctanamide (CID 70892575) is N-(3-cyclopentyloxyphenyl)-N-methyloctanamide.
What is the SMILES notation for N-(3-cyclopentyloxyphenyl)-N-methyloctanamide?
The canonical SMILES for N-(3-cyclopentyloxyphenyl)-N-methyloctanamide is CCCCCCCC(=O)N(C)c1cccc(OC2CCCC2)c1.
What is the InChIKey of N-(3-cyclopentyloxyphenyl)-N-methyloctanamide?
The InChIKey is HNYFZQLTLQIEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO2/c1-3-4-5-6-7-15-20(22)21(2)17-11-10-14-19(16-17)23-18-12-8-9-13-18/h10-11,14,16,18H,3-9,12-13,15H2,1-2H3.
What are the key properties of N-(3-cyclopentyloxyphenyl)-N-methyloctanamide?
N-(3-cyclopentyloxyphenyl)-N-methyloctanamide has a molecular weight of 317.47 g/mol, XLogP of 5.33, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentyloxyphenyl)-N-methyloctanamide is sourced from PubChem (CID 70892575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).