N-(2-ethylhexoxy)-N-(4-methylphenyl)formamide

C16H25NO2 — CID 174572163

IUPACN-(2-ethylhexoxy)-N-(4-methylphenyl)formamide
SMILESCCCCC(CC)CON(C=O)c1ccc(C)cc1
InChIInChI=1S/C16H25NO2/c1-4-6-7-15(5-2)12-19-17(13-18)16-10-8-14(3)9-11-16/h8-11,13,15H,4-7,12H2,1-3H3
InChIKeyAFCMDYSQTBOLQX-UHFFFAOYSA-N
MW263.38 g/mol
LogP4.11
Rot. Bonds9

About N-(2-ethylhexoxy)-N-(4-methylphenyl)formamide

N-(2-ethylhexoxy)-N-(4-methylphenyl)formamide (PubChem CID 174572163) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-(2-ethylhexoxy)-N-(4-methylphenyl)formamide.

Molecular Properties

Compound NameN-(2-ethylhexoxy)-N-(4-methylphenyl)formamide
PubChem CID174572163
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-(2-ethylhexoxy)-N-(4-methylphenyl)formamide
SMILESCCCCC(CC)CON(C=O)c1ccc(C)cc1
InChIInChI=1S/C16H25NO2/c1-4-6-7-15(5-2)12-19-17(13-18)16-10-8-14(3)9-11-16/h8-11,13,15H,4-7,12H2,1-3H3
InChIKeyAFCMDYSQTBOLQX-UHFFFAOYSA-N
XLogP4.11
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(4-methylphenyl) N,N-bis(2-ethylhexyl)carbamate
CID 101477311
2-ethylhexyl 4-methylbenzenesulfinate
CID 132580944
ethane;1-(2-ethylhexoxy)-4-methylbenzene;prop-1-ene
CID 170619939
[4-(diformylamino)-2-(2-ethylhexoxy)phenyl]iminoazanium
CID 21307410
4-[1-(2-ethylhexoxy)pyridin-1-ium-4-yl]-N,N-dimethylaniline;4-methylbenzenesulfonate
CID 161393974
2-ethylhexyl-(4-methylphenoxy)-oxophosphanium
CID 58805921
4-[ethyl(2-ethylhexyl)amino]benzaldehyde
CID 87492667
1,4-bis[(2S)-2-ethylhexoxy]benzene
CID 67003802
1,2-bis[4-[4-[4-(2-ethylhexoxy)-N-[4-(2-ethylhexoxy)phenyl]anilino]phenyl]phenyl]ethane-1,2-dione
CID 102199896
ethane;N-[4-(3-ethylheptyl)phenyl]-4-methyl-N-phenylaniline
CID 145203938
N-(4-bromophenyl)-4-[(2R)-2-ethylhexoxy]-N-[4-[(2R)-2-ethylhexoxy]phenyl]aniline
CID 98047352
2-(2-ethylhexoxy)-4-methylaniline
CID 63404064

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylhexoxy)-N-(4-methylphenyl)formamide?
The IUPAC name of N-(2-ethylhexoxy)-N-(4-methylphenyl)formamide (CID 174572163) is N-(2-ethylhexoxy)-N-(4-methylphenyl)formamide.
What is the SMILES notation for N-(2-ethylhexoxy)-N-(4-methylphenyl)formamide?
The canonical SMILES for N-(2-ethylhexoxy)-N-(4-methylphenyl)formamide is CCCCC(CC)CON(C=O)c1ccc(C)cc1.
What is the InChIKey of N-(2-ethylhexoxy)-N-(4-methylphenyl)formamide?
The InChIKey is AFCMDYSQTBOLQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-4-6-7-15(5-2)12-19-17(13-18)16-10-8-14(3)9-11-16/h8-11,13,15H,4-7,12H2,1-3H3.
What are the key properties of N-(2-ethylhexoxy)-N-(4-methylphenyl)formamide?
N-(2-ethylhexoxy)-N-(4-methylphenyl)formamide has a molecular weight of 263.38 g/mol, XLogP of 4.11, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylhexoxy)-N-(4-methylphenyl)formamide is sourced from PubChem (CID 174572163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).