N-(cyclobutylmethyl)-5-(2,5-dimethylphenoxy)pentanamide

C18H27NO2 — CID 47723201

IUPACN-(cyclobutylmethyl)-5-(2,5-dimethylphenoxy)pentanamide
SMILESCc1ccc(C)c(OCCCCC(=O)NCC2CCC2)c1
InChIInChI=1S/C18H27NO2/c1-14-9-10-15(2)17(12-14)21-11-4-3-8-18(20)19-13-16-6-5-7-16/h9-10,12,16H,3-8,11,13H2,1-2H3,(H,19,20)
InChIKeyTVHDNVYJCNKACD-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.77
Rot. Bonds8

About N-(cyclobutylmethyl)-5-(2,5-dimethylphenoxy)pentanamide

N-(cyclobutylmethyl)-5-(2,5-dimethylphenoxy)pentanamide (PubChem CID 47723201) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-5-(2,5-dimethylphenoxy)pentanamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-5-(2,5-dimethylphenoxy)pentanamide
PubChem CID47723201
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC NameN-(cyclobutylmethyl)-5-(2,5-dimethylphenoxy)pentanamide
SMILESCc1ccc(C)c(OCCCCC(=O)NCC2CCC2)c1
InChIInChI=1S/C18H27NO2/c1-14-9-10-15(2)17(12-14)21-11-4-3-8-18(20)19-13-16-6-5-7-16/h9-10,12,16H,3-8,11,13H2,1-2H3,(H,19,20)
InChIKeyTVHDNVYJCNKACD-UHFFFAOYSA-N
XLogP3.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.77
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

5-(2,5-dimethylphenoxy)-N-[2-(methylamino)ethyl]pentanamide
CID 119500786
5-(2,5-dimethylphenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]pentanamide
CID 94808949
7-(2,5-dimethylphenoxy)heptanoic acid
CID 39353078
5-(2,5-dimethylphenoxy)-N-[(3S)-2-oxoazepan-3-yl]pentanamide
CID 95149403
1-[5-(2,5-dimethylphenoxy)pentanoylamino]-3-methylurea
CID 47897550
3-(2,5-dimethylphenoxy)-N-propylpropanamide
CID 60637796
4-[3-(2,5-dimethylphenoxy)propanoylamino]butanamide
CID 56812747
6-(2,5-dimethylphenoxy)-2-oxohexanoic acid
CID 57182380
3-(2,5-dimethylphenoxy)-N-(5-hydroxypentyl)propanamide
CID 107318602
4-(2-bromophenoxy)-N-(cyclobutylmethyl)butanamide
CID 47041102
(2S)-2-[5-(2,5-dimethylphenoxy)pentanoylamino]-3-methylbutanoic acid
CID 119359679
5-(2,5-dimethylphenoxy)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]pentanamide
CID 48503193

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-5-(2,5-dimethylphenoxy)pentanamide?
The IUPAC name of N-(cyclobutylmethyl)-5-(2,5-dimethylphenoxy)pentanamide (CID 47723201) is N-(cyclobutylmethyl)-5-(2,5-dimethylphenoxy)pentanamide.
What is the SMILES notation for N-(cyclobutylmethyl)-5-(2,5-dimethylphenoxy)pentanamide?
The canonical SMILES for N-(cyclobutylmethyl)-5-(2,5-dimethylphenoxy)pentanamide is Cc1ccc(C)c(OCCCCC(=O)NCC2CCC2)c1.
What is the InChIKey of N-(cyclobutylmethyl)-5-(2,5-dimethylphenoxy)pentanamide?
The InChIKey is TVHDNVYJCNKACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-14-9-10-15(2)17(12-14)21-11-4-3-8-18(20)19-13-16-6-5-7-16/h9-10,12,16H,3-8,11,13H2,1-2H3,(H,19,20).
What are the key properties of N-(cyclobutylmethyl)-5-(2,5-dimethylphenoxy)pentanamide?
N-(cyclobutylmethyl)-5-(2,5-dimethylphenoxy)pentanamide has a molecular weight of 289.42 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-5-(2,5-dimethylphenoxy)pentanamide is sourced from PubChem (CID 47723201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).