N-[2-ethyl-4-(4-methoxy-3-methylanilino)butyl]formamide

C15H24N2O2 — CID 143532174

IUPACN-[2-ethyl-4-(4-methoxy-3-methylanilino)butyl]formamide
SMILESCCC(CCNc1ccc(OC)c(C)c1)CNC=O
InChIInChI=1S/C15H24N2O2/c1-4-13(10-16-11-18)7-8-17-14-5-6-15(19-3)12(2)9-14/h5-6,9,11,13,17H,4,7-8,10H2,1-3H3,(H,16,18)
InChIKeyGSTQZKZYJOHTEH-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.58
Rot. Bonds9

About N-[2-ethyl-4-(4-methoxy-3-methylanilino)butyl]formamide

N-[2-ethyl-4-(4-methoxy-3-methylanilino)butyl]formamide (PubChem CID 143532174) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-[2-ethyl-4-(4-methoxy-3-methylanilino)butyl]formamide.

Molecular Properties

Compound NameN-[2-ethyl-4-(4-methoxy-3-methylanilino)butyl]formamide
PubChem CID143532174
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN-[2-ethyl-4-(4-methoxy-3-methylanilino)butyl]formamide
SMILESCCC(CCNc1ccc(OC)c(C)c1)CNC=O
InChIInChI=1S/C15H24N2O2/c1-4-13(10-16-11-18)7-8-17-14-5-6-15(19-3)12(2)9-14/h5-6,9,11,13,17H,4,7-8,10H2,1-3H3,(H,16,18)
InChIKeyGSTQZKZYJOHTEH-UHFFFAOYSA-N
XLogP2.58
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N'-(4-methoxy-3-methylphenyl)-2-methylbutane-1,4-diamine
CID 115202913
ethane;2-(4-methoxy-3-methylanilino)ethanol
CID 142353980
4-methoxy-3-methyl-N-prop-2-enylaniline
CID 62140319
2-amino-3-(4-methoxy-3-methylanilino)propanamide
CID 103243682
2-ethyl-N-(3-fluoro-4-methoxyphenyl)-N'-methylpropane-1,3-diamine
CID 115254755
N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxy-3-methylaniline
CID 61059639
N-[(5-fluoro-2-methylphenyl)methyl]-4-methoxy-3-methylaniline
CID 115967998
3-(aminomethyl)-N-(4-methoxy-3-methylphenyl)pentanamide
CID 81086588
N-cyclopropyl-3-(4-methoxy-3-methylanilino)propanamide
CID 62625952
4-methoxy-3-methyl-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 63455858
N-(2-ethylbutyl)-4-methoxy-3-methylbenzenesulfonamide
CID 115613367
2-N-(4-methoxy-3-methylphenyl)-2-methylpropane-1,2-diamine
CID 115131601

Frequently Asked Questions

What is the IUPAC name of N-[2-ethyl-4-(4-methoxy-3-methylanilino)butyl]formamide?
The IUPAC name of N-[2-ethyl-4-(4-methoxy-3-methylanilino)butyl]formamide (CID 143532174) is N-[2-ethyl-4-(4-methoxy-3-methylanilino)butyl]formamide.
What is the SMILES notation for N-[2-ethyl-4-(4-methoxy-3-methylanilino)butyl]formamide?
The canonical SMILES for N-[2-ethyl-4-(4-methoxy-3-methylanilino)butyl]formamide is CCC(CCNc1ccc(OC)c(C)c1)CNC=O.
What is the InChIKey of N-[2-ethyl-4-(4-methoxy-3-methylanilino)butyl]formamide?
The InChIKey is GSTQZKZYJOHTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-4-13(10-16-11-18)7-8-17-14-5-6-15(19-3)12(2)9-14/h5-6,9,11,13,17H,4,7-8,10H2,1-3H3,(H,16,18).
What are the key properties of N-[2-ethyl-4-(4-methoxy-3-methylanilino)butyl]formamide?
N-[2-ethyl-4-(4-methoxy-3-methylanilino)butyl]formamide has a molecular weight of 264.37 g/mol, XLogP of 2.58, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethyl-4-(4-methoxy-3-methylanilino)butyl]formamide is sourced from PubChem (CID 143532174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).