N-[4-[2-[ethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]-2-oxoethyl]phenyl]butanamide

C18H24N4O3 — CID 46983229

IUPACN-[4-[2-[ethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]-2-oxoethyl]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(CC(=O)N(CC)Cc2noc(C)n2)cc1
InChIInChI=1S/C18H24N4O3/c1-4-6-17(23)20-15-9-7-14(8-10-15)11-18(24)22(5-2)12-16-19-13(3)25-21-16/h7-10H,4-6,11-12H2,1-3H3,(H,20,23)
InChIKeyMKAGXWZNTZAVSL-UHFFFAOYSA-N
MW344.42 g/mol
LogP2.71
Rot. Bonds8

About N-[4-[2-[ethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]-2-oxoethyl]phenyl]butanamide

N-[4-[2-[ethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]-2-oxoethyl]phenyl]butanamide (PubChem CID 46983229) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is N-[4-[2-[ethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]-2-oxoethyl]phenyl]butanamide.

Molecular Properties

Compound NameN-[4-[2-[ethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]-2-oxoethyl]phenyl]butanamide
PubChem CID46983229
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC NameN-[4-[2-[ethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]-2-oxoethyl]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(CC(=O)N(CC)Cc2noc(C)n2)cc1
InChIInChI=1S/C18H24N4O3/c1-4-6-17(23)20-15-9-7-14(8-10-15)11-18(24)22(5-2)12-16-19-13(3)25-21-16/h7-10H,4-6,11-12H2,1-3H3,(H,20,23)
InChIKeyMKAGXWZNTZAVSL-UHFFFAOYSA-N
XLogP2.71
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-[2-[ethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]-2-oxoethyl]phenyl]butanamide with MolForge

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Related Compounds

3-(4-acetylphenyl)-1-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 72852507
N-[4-[2-(diethylamino)-2-oxoethyl]phenyl]-5-methoxypentanamide
CID 86871795
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-N-(4-methylphenyl)acetamide
CID 106398305
N-[4-(hydroxymethyl)phenyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
CID 64795052
N-[4-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]butanamide
CID 17202461
N-[4-(butanoylamino)phenyl]butanamide;ethane
CID 166169399
N-[4-[2-(2,1,3-benzoxadiazol-5-ylmethylamino)-2-oxoethyl]phenyl]butanamide
CID 46990871
N-(5-methyl-1,2,4-oxadiazol-3-yl)butanamide
CID 101166742
N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-[(4-methylphenyl)sulfanylmethyl]furan-2-carboxamide
CID 135113785
3-[N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]anilino]propanoic acid
CID 60838393
N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-hydroxybutanamide
CID 79200620
ethane;N-(4-methylphenyl)butanamide;molecular hydrogen
CID 155712374

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[ethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]-2-oxoethyl]phenyl]butanamide?
The IUPAC name of N-[4-[2-[ethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]-2-oxoethyl]phenyl]butanamide (CID 46983229) is N-[4-[2-[ethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]-2-oxoethyl]phenyl]butanamide.
What is the SMILES notation for N-[4-[2-[ethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]-2-oxoethyl]phenyl]butanamide?
The canonical SMILES for N-[4-[2-[ethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]-2-oxoethyl]phenyl]butanamide is CCCC(=O)Nc1ccc(CC(=O)N(CC)Cc2noc(C)n2)cc1.
What is the InChIKey of N-[4-[2-[ethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]-2-oxoethyl]phenyl]butanamide?
The InChIKey is MKAGXWZNTZAVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-4-6-17(23)20-15-9-7-14(8-10-15)11-18(24)22(5-2)12-16-19-13(3)25-21-16/h7-10H,4-6,11-12H2,1-3H3,(H,20,23).
What are the key properties of N-[4-[2-[ethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]-2-oxoethyl]phenyl]butanamide?
N-[4-[2-[ethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]-2-oxoethyl]phenyl]butanamide has a molecular weight of 344.42 g/mol, XLogP of 2.71, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[ethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]-2-oxoethyl]phenyl]butanamide is sourced from PubChem (CID 46983229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).