N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]but-3-enyl]-5-ethyl-1,2-oxazole-3-carboxamide

C20H25N3O4 — CID 155264555

IUPACN-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]but-3-enyl]-5-ethyl-1,2-oxazole-3-carboxamide
SMILESC=C(CCNC(=O)c1cc(CC)on1)NC(=O)COc1ccc(C)c(C)c1
InChIInChI=1S/C20H25N3O4/c1-5-16-11-18(23-27-16)20(25)21-9-8-15(4)22-19(24)12-26-17-7-6-13(2)14(3)10-17/h6-7,10-11H,4-5,8-9,12H2,1-3H3,(H,21,25)(H,22,24)
InChIKeyRCUFCWRFVWIDNT-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.68
Rot. Bonds9

About N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]but-3-enyl]-5-ethyl-1,2-oxazole-3-carboxamide

N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]but-3-enyl]-5-ethyl-1,2-oxazole-3-carboxamide (PubChem CID 155264555) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]but-3-enyl]-5-ethyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]but-3-enyl]-5-ethyl-1,2-oxazole-3-carboxamide
PubChem CID155264555
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC NameN-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]but-3-enyl]-5-ethyl-1,2-oxazole-3-carboxamide
SMILESC=C(CCNC(=O)c1cc(CC)on1)NC(=O)COc1ccc(C)c(C)c1
InChIInChI=1S/C20H25N3O4/c1-5-16-11-18(23-27-16)20(25)21-9-8-15(4)22-19(24)12-26-17-7-6-13(2)14(3)10-17/h6-7,10-11H,4-5,8-9,12H2,1-3H3,(H,21,25)(H,22,24)
InChIKeyRCUFCWRFVWIDNT-UHFFFAOYSA-N
XLogP2.68
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]but-3-enyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 155265040
4-(acetamidomethyl)-N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]but-3-enyl]pyridine-2-carboxamide
CID 155265005
2-(diethylamino)-N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]but-3-enyl]butanamide
CID 155265108
N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]but-3-enyl]-5-ethylpyridine-2-carboxamide
CID 155264541
N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]but-3-enyl]-2-methyl-1,3-oxazole-5-carboxamide
CID 155265150
N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-3-enyl]-4-methylpyridine-2-carboxamide
CID 170000150
4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-[(5-methylpyrazin-2-yl)methyl]pent-4-enamide
CID 138736740
N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-3-enyl]-5,6-dimethylpyrazine-2-carboxamide
CID 155264535
4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-[(4-propan-2-ylphenyl)methyl]pent-4-enamide
CID 138736196
N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]but-3-enyl]-4-(2-hydroxyethyl)pyridine-2-carboxamide
CID 155264607
N-benzyl-4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-methylpent-4-enamide
CID 138736713
5-ethyl-N-pentyl-1,2-oxazole-3-carboxamide
CID 160831155

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]but-3-enyl]-5-ethyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]but-3-enyl]-5-ethyl-1,2-oxazole-3-carboxamide (CID 155264555) is N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]but-3-enyl]-5-ethyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]but-3-enyl]-5-ethyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]but-3-enyl]-5-ethyl-1,2-oxazole-3-carboxamide is C=C(CCNC(=O)c1cc(CC)on1)NC(=O)COc1ccc(C)c(C)c1.
What is the InChIKey of N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]but-3-enyl]-5-ethyl-1,2-oxazole-3-carboxamide?
The InChIKey is RCUFCWRFVWIDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-5-16-11-18(23-27-16)20(25)21-9-8-15(4)22-19(24)12-26-17-7-6-13(2)14(3)10-17/h6-7,10-11H,4-5,8-9,12H2,1-3H3,(H,21,25)(H,22,24).
What are the key properties of N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]but-3-enyl]-5-ethyl-1,2-oxazole-3-carboxamide?
N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]but-3-enyl]-5-ethyl-1,2-oxazole-3-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 2.68, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]but-3-enyl]-5-ethyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 155264555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).