4-oxo-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide

C21H20N2O4 — CID 38467775

IUPAC4-oxo-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
SMILESO=C(CCC(=O)c1ccc2c(c1)CCCC2)Nc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C21H20N2O4/c24-18(15-6-5-13-3-1-2-4-14(13)11-15)8-10-20(25)22-16-7-9-19-17(12-16)23-21(26)27-19/h5-7,9,11-12H,1-4,8,10H2,(H,22,25)(H,23,26)
InChIKeyAAIZMPAFRAVEKE-UHFFFAOYSA-N
MW364.40 g/mol
LogP3.60
Rot. Bonds5

About 4-oxo-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide

4-oxo-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide (PubChem CID 38467775) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is 4-oxo-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide.

Molecular Properties

Compound Name4-oxo-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
PubChem CID38467775
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC Name4-oxo-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
SMILESO=C(CCC(=O)c1ccc2c(c1)CCCC2)Nc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C21H20N2O4/c24-18(15-6-5-13-3-1-2-4-14(13)11-15)8-10-20(25)22-16-7-9-19-17(12-16)23-21(26)27-19/h5-7,9,11-12H,1-4,8,10H2,(H,22,25)(H,23,26)
InChIKeyAAIZMPAFRAVEKE-UHFFFAOYSA-N
XLogP3.60
TPSA92.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-tert-butylphenyl)-4-oxo-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide
CID 110410924
4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butanoic acid
CID 12925401
4-(3-methoxyphenyl)-4-oxo-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide
CID 110607947
4-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]benzamide
CID 9441784
methyl 4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butanoate
CID 47157162
N-(4-ethylphenyl)-4-oxo-4-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide
CID 110344752
3-acetamido-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
CID 47160045
N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 51116933
N-(4-methylsulfanylphenyl)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 9179823
4-oxo-N-[4-(pyrrolidine-1-carbonyl)phenyl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 55532448
N-(3,5-dichloro-4-hydroxyphenyl)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 108807181
7-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)heptanamide;hydrochloride
CID 119709871

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide?
The IUPAC name of 4-oxo-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide (CID 38467775) is 4-oxo-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide.
What is the SMILES notation for 4-oxo-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide?
The canonical SMILES for 4-oxo-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide is O=C(CCC(=O)c1ccc2c(c1)CCCC2)Nc1ccc2oc(=O)[nH]c2c1.
What is the InChIKey of 4-oxo-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide?
The InChIKey is AAIZMPAFRAVEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c24-18(15-6-5-13-3-1-2-4-14(13)11-15)8-10-20(25)22-16-7-9-19-17(12-16)23-21(26)27-19/h5-7,9,11-12H,1-4,8,10H2,(H,22,25)(H,23,26).
What are the key properties of 4-oxo-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide?
4-oxo-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide has a molecular weight of 364.40 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide is sourced from PubChem (CID 38467775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).