N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]oxolane-2-carboxamide

C18H26N2O4 — CID 108541523

IUPACN-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]oxolane-2-carboxamide
SMILESCc1ccc(C)c(OCC(=O)NCCNC(=O)C2CCCO2)c1C
InChIInChI=1S/C18H26N2O4/c1-12-6-7-13(2)17(14(12)3)24-11-16(21)19-8-9-20-18(22)15-5-4-10-23-15/h6-7,15H,4-5,8-11H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyRYUQCVJDUAUHFY-UHFFFAOYSA-N
MW334.42 g/mol
LogP1.40
Rot. Bonds7

About N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]oxolane-2-carboxamide

N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]oxolane-2-carboxamide (PubChem CID 108541523) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]oxolane-2-carboxamide
PubChem CID108541523
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC NameN-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]oxolane-2-carboxamide
SMILESCc1ccc(C)c(OCC(=O)NCCNC(=O)C2CCCO2)c1C
InChIInChI=1S/C18H26N2O4/c1-12-6-7-13(2)17(14(12)3)24-11-16(21)19-8-9-20-18(22)15-5-4-10-23-15/h6-7,15H,4-5,8-11H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyRYUQCVJDUAUHFY-UHFFFAOYSA-N
XLogP1.40
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-cyclohexyl-N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]propanamide
CID 108541528
N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]butanamide
CID 108572761
N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]oxolane-2-carboxamide
CID 108541899
N-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]oxolane-2-carboxamide
CID 110789686
N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]oxolane-2-carboxamide
CID 110788043
N-[2-(4-methoxy-3-methylphenyl)ethyl]oxolane-2-carboxamide
CID 110787404
N-[2-[[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]benzoyl]amino]ethyl]oxolane-2-carboxamide
CID 121062689
2-thiophen-2-yl-N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]acetamide
CID 108541512
N-[2-(3,5-dimethylphenoxy)ethyl]oxolane-2-carboxamide
CID 47380053
N-[2-[(2-benzamidoacetyl)amino]ethyl]oxolane-2-carboxamide
CID 108539293
N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]oxolane-2-carboxamide
CID 113103038
2-[4-[2-(oxolane-2-carbonylamino)ethyl]phenoxy]acetic acid
CID 119255885

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]oxolane-2-carboxamide?
The IUPAC name of N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]oxolane-2-carboxamide (CID 108541523) is N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]oxolane-2-carboxamide?
The canonical SMILES for N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]oxolane-2-carboxamide is Cc1ccc(C)c(OCC(=O)NCCNC(=O)C2CCCO2)c1C.
What is the InChIKey of N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]oxolane-2-carboxamide?
The InChIKey is RYUQCVJDUAUHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-12-6-7-13(2)17(14(12)3)24-11-16(21)19-8-9-20-18(22)15-5-4-10-23-15/h6-7,15H,4-5,8-11H2,1-3H3,(H,19,21)(H,20,22).
What are the key properties of N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]oxolane-2-carboxamide?
N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]oxolane-2-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 1.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 108541523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).