2-ethyl-N-[2-[2-(2-ethyl-6-methylanilino)ethoxy]ethyl]-6-methylaniline;N-ethyl-N-methylnitrous amide

C25H40N4O2 — CID 161061041

IUPAC2-ethyl-N-[2-[2-(2-ethyl-6-methylanilino)ethoxy]ethyl]-6-methylaniline;N-ethyl-N-methylnitrous amide
SMILESCCN(C)N=O.CCc1cccc(C)c1NCCOCCNc1c(C)cccc1CC
InChIInChI=1S/C22H32N2O.C3H8N2O/c1-5-19-11-7-9-17(3)21(19)23-13-15-25-16-14-24-22-18(4)10-8-12-20(22)6-2;1-3-5(2)4-6/h7-12,23-24H,5-6,13-16H2,1-4H3;3H2,1-2H3
InChIKeyUDJYCPGOKJPGLW-UHFFFAOYSA-N
MW428.62 g/mol
LogP5.59
Rot. Bonds12

About 2-ethyl-N-[2-[2-(2-ethyl-6-methylanilino)ethoxy]ethyl]-6-methylaniline;N-ethyl-N-methylnitrous amide

2-ethyl-N-[2-[2-(2-ethyl-6-methylanilino)ethoxy]ethyl]-6-methylaniline;N-ethyl-N-methylnitrous amide (PubChem CID 161061041) has the molecular formula C25H40N4O2 and a molecular weight of 428.62 g/mol. Its IUPAC name is 2-ethyl-N-[2-[2-(2-ethyl-6-methylanilino)ethoxy]ethyl]-6-methylaniline;N-ethyl-N-methylnitrous amide.

Molecular Properties

Compound Name2-ethyl-N-[2-[2-(2-ethyl-6-methylanilino)ethoxy]ethyl]-6-methylaniline;N-ethyl-N-methylnitrous amide
PubChem CID161061041
Molecular FormulaC25H40N4O2
Molecular Weight428.62 g/mol
Exact Mass428.32
IUPAC Name2-ethyl-N-[2-[2-(2-ethyl-6-methylanilino)ethoxy]ethyl]-6-methylaniline;N-ethyl-N-methylnitrous amide
SMILESCCN(C)N=O.CCc1cccc(C)c1NCCOCCNc1c(C)cccc1CC
InChIInChI=1S/C22H32N2O.C3H8N2O/c1-5-19-11-7-9-17(3)21(19)23-13-15-25-16-14-24-22-18(4)10-8-12-20(22)6-2;1-3-5(2)4-6/h7-12,23-24H,5-6,13-16H2,1-4H3;3H2,1-2H3
InChIKeyUDJYCPGOKJPGLW-UHFFFAOYSA-N
XLogP5.59
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.62
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,6-diethyl-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline
CID 104562158
N'-(2-ethyl-6-methylphenyl)-N-(2-methoxyethyl)ethane-1,2-diamine
CID 54809654
2-ethyl-6-methyl-N-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]aniline
CID 54798412
2-ethyl-N-[3-(4-ethylphenoxy)propyl]-6-methylaniline
CID 82096293
N-butyl-N'-(2-ethyl-6-methylphenyl)ethane-1,2-diamine
CID 54807025
2-ethyl-6-methyl-N-(3-phenylpropyl)aniline
CID 39356754
2-ethyl-6-methyl-N-[4-(3-methylphenoxy)butyl]aniline
CID 82096296
N'-(2-ethyl-6-methylphenyl)-N-(2-methoxyphenyl)ethane-1,2-diamine
CID 54810086
2-N-(2-ethoxyethyl)-3-methylbenzene-1,2-diamine
CID 115550147
2-ethyl-N-(3-methoxy-2-methylpropyl)-6-methylaniline
CID 116501156
N'-(2-ethyl-6-methylphenyl)-N-(4-heptoxyphenyl)ethane-1,2-diamine
CID 54810064
2,6-diethyl-N-[3-(2-methoxyethoxy)propyl]aniline
CID 103409479

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[2-[2-(2-ethyl-6-methylanilino)ethoxy]ethyl]-6-methylaniline;N-ethyl-N-methylnitrous amide?
The IUPAC name of 2-ethyl-N-[2-[2-(2-ethyl-6-methylanilino)ethoxy]ethyl]-6-methylaniline;N-ethyl-N-methylnitrous amide (CID 161061041) is 2-ethyl-N-[2-[2-(2-ethyl-6-methylanilino)ethoxy]ethyl]-6-methylaniline;N-ethyl-N-methylnitrous amide.
What is the SMILES notation for 2-ethyl-N-[2-[2-(2-ethyl-6-methylanilino)ethoxy]ethyl]-6-methylaniline;N-ethyl-N-methylnitrous amide?
The canonical SMILES for 2-ethyl-N-[2-[2-(2-ethyl-6-methylanilino)ethoxy]ethyl]-6-methylaniline;N-ethyl-N-methylnitrous amide is CCN(C)N=O.CCc1cccc(C)c1NCCOCCNc1c(C)cccc1CC.
What is the InChIKey of 2-ethyl-N-[2-[2-(2-ethyl-6-methylanilino)ethoxy]ethyl]-6-methylaniline;N-ethyl-N-methylnitrous amide?
The InChIKey is UDJYCPGOKJPGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O.C3H8N2O/c1-5-19-11-7-9-17(3)21(19)23-13-15-25-16-14-24-22-18(4)10-8-12-20(22)6-2;1-3-5(2)4-6/h7-12,23-24H,5-6,13-16H2,1-4H3;3H2,1-2H3.
What are the key properties of 2-ethyl-N-[2-[2-(2-ethyl-6-methylanilino)ethoxy]ethyl]-6-methylaniline;N-ethyl-N-methylnitrous amide?
2-ethyl-N-[2-[2-(2-ethyl-6-methylanilino)ethoxy]ethyl]-6-methylaniline;N-ethyl-N-methylnitrous amide has a molecular weight of 428.62 g/mol, XLogP of 5.59, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-[2-(2-ethyl-6-methylanilino)ethoxy]ethyl]-6-methylaniline;N-ethyl-N-methylnitrous amide is sourced from PubChem (CID 161061041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).