butyl(4-ethyloctan-4-yl)carbamic acid

C15H31NO2 — CID 175187890

IUPACbutyl(4-ethyloctan-4-yl)carbamic acid
SMILESCCCCN(C(=O)O)C(CC)(CCC)CCCC
InChIInChI=1S/C15H31NO2/c1-5-9-12-15(8-4,11-7-3)16(14(17)18)13-10-6-2/h5-13H2,1-4H3,(H,17,18)
InChIKeyHWFDSZWCMTUNHR-UHFFFAOYSA-N
MW257.42 g/mol
LogP4.91
Rot. Bonds10

About butyl(4-ethyloctan-4-yl)carbamic acid

butyl(4-ethyloctan-4-yl)carbamic acid (PubChem CID 175187890) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is butyl(4-ethyloctan-4-yl)carbamic acid.

Molecular Properties

Compound Namebutyl(4-ethyloctan-4-yl)carbamic acid
PubChem CID175187890
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Namebutyl(4-ethyloctan-4-yl)carbamic acid
SMILESCCCCN(C(=O)O)C(CC)(CCC)CCCC
InChIInChI=1S/C15H31NO2/c1-5-9-12-15(8-4,11-7-3)16(14(17)18)13-10-6-2/h5-13H2,1-4H3,(H,17,18)
InChIKeyHWFDSZWCMTUNHR-UHFFFAOYSA-N
XLogP4.91
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 141372550
N,N,5-tributylnonan-5-amine
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CID 20700530
2-N,2-N-dibutyl-2-ethylpentane-1,2-diamine
CID 114079873
[[carboxy(tetratriacontyl)amino]-diphenylmethyl]-tetratriacontylcarbamic acid
CID 87081562
(2R)-2-ethyl-2-hydroxypentanoic acid
CID 10725485
2-(dibutylamino)-2-methylhexanoic acid
CID 174674804
1-(3-ethylheptan-3-yl)-1-propylhydrazine;tetradecanoic acid
CID 174950510
2-[[4-(2-carboxy-2-ethylhexyl)cyclohexyl]methyl]-2-ethylhexanoic acid
CID 70237933
pentane-1,1,1-tricarboxylic acid
CID 19386814
butyl(hydroxymethyl)carbamic acid
CID 175092275
2,2-diethylhexanoic acid;λ2-stannane
CID 173193694

Frequently Asked Questions

What is the IUPAC name of butyl(4-ethyloctan-4-yl)carbamic acid?
The IUPAC name of butyl(4-ethyloctan-4-yl)carbamic acid (CID 175187890) is butyl(4-ethyloctan-4-yl)carbamic acid.
What is the SMILES notation for butyl(4-ethyloctan-4-yl)carbamic acid?
The canonical SMILES for butyl(4-ethyloctan-4-yl)carbamic acid is CCCCN(C(=O)O)C(CC)(CCC)CCCC.
What is the InChIKey of butyl(4-ethyloctan-4-yl)carbamic acid?
The InChIKey is HWFDSZWCMTUNHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-5-9-12-15(8-4,11-7-3)16(14(17)18)13-10-6-2/h5-13H2,1-4H3,(H,17,18).
What are the key properties of butyl(4-ethyloctan-4-yl)carbamic acid?
butyl(4-ethyloctan-4-yl)carbamic acid has a molecular weight of 257.42 g/mol, XLogP of 4.91, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butyl(4-ethyloctan-4-yl)carbamic acid is sourced from PubChem (CID 175187890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).