formamide;2-methoxy-1-methyl-4-pentylbenzene

C14H23NO2 — CID 142217487

IUPACformamide;2-methoxy-1-methyl-4-pentylbenzene
SMILESCCCCCc1ccc(C)c(OC)c1.NC=O
InChIInChI=1S/C13H20O.CH3NO/c1-4-5-6-7-12-9-8-11(2)13(10-12)14-3;2-1-3/h8-10H,4-7H2,1-3H3;1H,(H2,2,3)
InChIKeyVHJMAJOGAQHPBO-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.84
Rot. Bonds5

About formamide;2-methoxy-1-methyl-4-pentylbenzene

formamide;2-methoxy-1-methyl-4-pentylbenzene (PubChem CID 142217487) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is formamide;2-methoxy-1-methyl-4-pentylbenzene.

Molecular Properties

Compound Nameformamide;2-methoxy-1-methyl-4-pentylbenzene
PubChem CID142217487
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Nameformamide;2-methoxy-1-methyl-4-pentylbenzene
SMILESCCCCCc1ccc(C)c(OC)c1.NC=O
InChIInChI=1S/C13H20O.CH3NO/c1-4-5-6-7-12-9-8-11(2)13(10-12)14-3;2-1-3/h8-10H,4-7H2,1-3H3;1H,(H2,2,3)
InChIKeyVHJMAJOGAQHPBO-UHFFFAOYSA-N
XLogP2.84
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-hexyl-2-methoxyaniline
CID 70551686
4-(3-bromopropyl)-2-methoxy-1-methylbenzene
CID 18626504
2-(3-methoxy-4-methylphenyl)ethanamine
CID 13015320
1,2-dimethyl-4-octylbenzene
CID 14044616
2-(3-methoxy-4-methylphenyl)ethyl acetate
CID 58508848
2-butyl-1-[2-(3-methoxy-4-methylphenyl)ethyl]guanidine
CID 111589993
2-ethyl-4-heptyl-1-methylbenzene
CID 58289217
4-hexyl-2-methoxy-1-(trifluoromethyl)benzene
CID 90733301
4-[bromo-(4-butylphenyl)methyl]-2-methoxy-1-methylbenzene
CID 63439924
1-(3-methoxy-4-methylphenyl)-2-methylpropan-2-amine
CID 83698352
2-(4-heptyl-2-methoxyphenoxy)acetic acid
CID 154352108
2,6-dimethoxy-4-pentylphenol
CID 22625510

Frequently Asked Questions

What is the IUPAC name of formamide;2-methoxy-1-methyl-4-pentylbenzene?
The IUPAC name of formamide;2-methoxy-1-methyl-4-pentylbenzene (CID 142217487) is formamide;2-methoxy-1-methyl-4-pentylbenzene.
What is the SMILES notation for formamide;2-methoxy-1-methyl-4-pentylbenzene?
The canonical SMILES for formamide;2-methoxy-1-methyl-4-pentylbenzene is CCCCCc1ccc(C)c(OC)c1.NC=O.
What is the InChIKey of formamide;2-methoxy-1-methyl-4-pentylbenzene?
The InChIKey is VHJMAJOGAQHPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O.CH3NO/c1-4-5-6-7-12-9-8-11(2)13(10-12)14-3;2-1-3/h8-10H,4-7H2,1-3H3;1H,(H2,2,3).
What are the key properties of formamide;2-methoxy-1-methyl-4-pentylbenzene?
formamide;2-methoxy-1-methyl-4-pentylbenzene has a molecular weight of 237.34 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for formamide;2-methoxy-1-methyl-4-pentylbenzene is sourced from PubChem (CID 142217487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).