N-[2-(2,5-dihydroxyphenyl)ethyl]-N-propylformamide;ethane

C14H23NO3 — CID 143297928

IUPACN-[2-(2,5-dihydroxyphenyl)ethyl]-N-propylformamide;ethane
SMILESCC.CCCN(C=O)CCc1cc(O)ccc1O
InChIInChI=1S/C12H17NO3.C2H6/c1-2-6-13(9-14)7-5-10-8-11(15)3-4-12(10)16;1-2/h3-4,8-9,15-16H,2,5-7H2,1H3;1-2H3
InChIKeyVOXFTNBTNGMNCS-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.53
Rot. Bonds6

About N-[2-(2,5-dihydroxyphenyl)ethyl]-N-propylformamide;ethane

N-[2-(2,5-dihydroxyphenyl)ethyl]-N-propylformamide;ethane (PubChem CID 143297928) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is N-[2-(2,5-dihydroxyphenyl)ethyl]-N-propylformamide;ethane.

Molecular Properties

Compound NameN-[2-(2,5-dihydroxyphenyl)ethyl]-N-propylformamide;ethane
PubChem CID143297928
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC NameN-[2-(2,5-dihydroxyphenyl)ethyl]-N-propylformamide;ethane
SMILESCC.CCCN(C=O)CCc1cc(O)ccc1O
InChIInChI=1S/C12H17NO3.C2H6/c1-2-6-13(9-14)7-5-10-8-11(15)3-4-12(10)16;1-2/h3-4,8-9,15-16H,2,5-7H2,1H3;1-2H3
InChIKeyVOXFTNBTNGMNCS-UHFFFAOYSA-N
XLogP2.53
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[carboxymethyl-[(2,5-dihydroxyphenyl)methyl]amino]ethyl-[(2,5-dihydroxyphenyl)methyl]amino]acetic acid
CID 70833151
2-tridecylbenzene-1,4-diol
CID 19033717
sodium 2-dodecylbenzene-1,4-diol
CID 23460783
CID 70568956
CID 70568956
CID 70369806
CID 70369806
4-chloro-2-[2-(dipropylamino)ethyl]phenol
CID 10491251
2-[(2-bromo-5-hydroxyphenyl)methyl-propylamino]acetic acid
CID 122040276
1,5-bis(2,5-dihydroxyphenyl)pentan-3-one
CID 141060265
4-hydroxy-3-propylbenzaldehyde
CID 57447725
4-chloro-2-[(dipropylamino)methyl]phenol
CID 82977690
2-(3-hydroxypropyl)benzene-1,4-diol
CID 19362191
2-(3-methylbut-3-enyl)benzene-1,4-diol
CID 23318481

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dihydroxyphenyl)ethyl]-N-propylformamide;ethane?
The IUPAC name of N-[2-(2,5-dihydroxyphenyl)ethyl]-N-propylformamide;ethane (CID 143297928) is N-[2-(2,5-dihydroxyphenyl)ethyl]-N-propylformamide;ethane.
What is the SMILES notation for N-[2-(2,5-dihydroxyphenyl)ethyl]-N-propylformamide;ethane?
The canonical SMILES for N-[2-(2,5-dihydroxyphenyl)ethyl]-N-propylformamide;ethane is CC.CCCN(C=O)CCc1cc(O)ccc1O.
What is the InChIKey of N-[2-(2,5-dihydroxyphenyl)ethyl]-N-propylformamide;ethane?
The InChIKey is VOXFTNBTNGMNCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3.C2H6/c1-2-6-13(9-14)7-5-10-8-11(15)3-4-12(10)16;1-2/h3-4,8-9,15-16H,2,5-7H2,1H3;1-2H3.
What are the key properties of N-[2-(2,5-dihydroxyphenyl)ethyl]-N-propylformamide;ethane?
N-[2-(2,5-dihydroxyphenyl)ethyl]-N-propylformamide;ethane has a molecular weight of 253.34 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dihydroxyphenyl)ethyl]-N-propylformamide;ethane is sourced from PubChem (CID 143297928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).